diff --git a/.gitignore b/.gitignore index 09cf676ad..057a372e4 100644 --- a/.gitignore +++ b/.gitignore @@ -5,3 +5,5 @@ build*/ my* .vscode +**check* +**resu* diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 4ce93cd2a..882b7ceaf 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -1,70 +1,131 @@ image: gitlab.chab.ethz.ch:4567/reiher/docker/qcmaquis-gcc:latest +# Pipeline that compiles the code with increasingly complex models + +stages: + - buildBasic + - testBasic + - buildAdvanced + - testAdvanced + - buildFinal + - testFinal + build-electronic: - stage: build + stage: buildBasic tags: - default_docker script: - mkdir buildElectronic && cd buildElectronic - cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG" ../dmrg - - make -j4 + - make -j2 artifacts: paths: - buildElectronic/ expire_in: 6h when: always +testElectronic: + stage: testBasic + needs: ["build-electronic"] + tags: + - default_docker + script: + - cd buildElectronic + - make test -j2 + build-relativistic: - stage: build + stage: buildAdvanced + needs: ["testElectronic"] tags: - default_docker script: - mkdir buildRelativistic && cd buildRelativistic - cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG;U1DG" ../dmrg - - make -j4 + - make -j2 artifacts: paths: - buildRelativistic/ expire_in: 6h when: always +testRelativistic: + stage: testAdvanced + needs: ["build-relativistic"] + tags: + - default_docker + script: + - cd buildRelativistic + - make test -j2 + build-with-nu1: - stage: build + stage: buildFinal + needs: ["testRelativistic"] tags: - default_docker script: - mkdir buildNU1 && cd buildNU1 - cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG;U1DG;NU1" -DBUILD_PREBO=ON -DDMRG_NUMSYMM=5 ../dmrg - - make -j4 + - make -j2 artifacts: paths: - buildNU1/ expire_in: 6h when: always -testElectronic: - stage: test - needs: ["build-electronic"] +testNU1: + stage: testFinal + needs: ["build-with-nu1"] tags: - default_docker script: - - cd buildElectronic - - make test + - cd buildNU1 + - make test -j4 -testRelativistic: - stage: test - needs: ["build-relativistic"] +# Pipeline for the TD-DMRG case + +build-TD-conventional: + stage: buildBasic tags: - default_docker script: - - cd buildRelativistic - - make test + - mkdir buildTDConventional && cd buildTDConventional + - cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG" -DBUILD_DMRG_EVOLVE=ON ../dmrg + - make -j2 + artifacts: + paths: + - buildTDConventional/ + expire_in: 6h + when: always -testNU1: - stage: test - needs: ["build-with-nu1"] +testTDConventional: + stage: testBasic + needs: ["build-TD-conventional"] tags: - default_docker script: - - cd buildNU1 - - make test + - cd buildTDConventional + - make test -j2 + +build-TD-with-all-symmetries: + stage: buildAdvanced + needs: ["testTDConventional"] + tags: + - default_docker + script: + - mkdir buildTDAllSymmetries && cd buildTDAllSymmetries + - cmake -DQCMAQUIS_TESTS=ON -DBUILD_SYMMETRIES="TwoU1;TwoU1PG;SU2U1;SU2U1PG;U1DG;NU1" -DBUILD_DMRG_EVOLVE=ON -DBUILD_PREBO=ON ../dmrg + - make -j2 + artifacts: + paths: + - buildTDAllSymmetries/ + expire_in: 6h + when: always + +testTDAllSymmetries: + stage: testAdvanced + needs: ["build-TD-with-all-symmetries"] + tags: + - default_docker + script: + - cd buildTDAllSymmetries + - make test -j2 diff --git a/CHANGELOG.md b/CHANGELOG.md new file mode 100644 index 000000000..0867a5aa4 --- /dev/null +++ b/CHANGELOG.md @@ -0,0 +1,28 @@ +# Changelog + +## Release 3.1.0 + +- Added support for TD-DMRG with time-independent Hamiltonian + +## Release 3.0.6 + +- Bugfix for compilation with BUILD_PREBO=OFF + +## Release 3.0.5 + +- Added support for PreBO DMRG calculations + +## Release 3.0.4 + +- Fixed overlap calculations in MPSSI +- Fixed number of sweeps for DMRGSCF excited states +- Got rid of boost::enable_if and boost::shared_ptr in favour of STL +- Small updates in the Fortran interface and for Mac OS X + +## Release 3.0.3 + +- Fix for Fiedler ordering and excited states +- Faster parallel RDM evaluation +- Fixed some crashes for TDM evaluation +- Added several tests for RDMs +- Ability to read necessary parameters from checkpoint files diff --git a/dmrg/CMakeLists.txt b/dmrg/CMakeLists.txt index a2d8c14a1..ac081a92d 100644 --- a/dmrg/CMakeLists.txt +++ b/dmrg/CMakeLists.txt @@ -47,7 +47,7 @@ option(ENABLE_OMP "Enable OpenMP" ON) # option(ENABLE_ALPS_MODELS "Enable binding with ALPS lattices and models" OFF) option(LAPACK_64_BIT "Build for 64-bit LAPACK library" ON) -# Standalone utility binaries, mostly deprecated by the binary interface +# DMRG-related flags option (BUILD_INIT "Build dmrg_init binary (deprecated)" OFF) option (BUILD_CIDEAS "Build CIDEAS binary (deprecated)" OFF) option (BUILD_MPS_ROTATE "Build mps_rotate binary for RASSI counterrotation (deprecated)" OFF) @@ -57,8 +57,15 @@ option (BUILD_ONETDM_DIAG "Build 1-TDM diagonal elements calculator (deprecated option (BUILD_MPS2CI "Build CI coefficient reconstruction facilities" OFF) option (BUILD_DEAS "Build s1 and I printer tool" OFF) option (BUILD_MPS_TRANSFORM "Build MPS SU2->2U1 symmetry group transformation tool" OFF) +option (BUILD_DMRG_EVOLVE "Builds the time-evolution DMRG module" OFF) option (BUILD_PREBO "Build PreBO model" OFF) +# Time-evolution TD-DMRG +if(BUILD_DMRG_EVOLVE) + list(APPEND DMRG_DEFINITIONS -DDMRG_TD) + set(DMRG_TD TRUE) +endif(BUILD_DMRG_EVOLVE) + option (ENABLE_COLLECTOR "Enable profiling through DataCollector object" OFF) mark_as_advanced(ENABLE_COLLECTOR) @@ -182,8 +189,13 @@ foreach(SYMM ${BUILD_SYMMETRIES}) set(DMRG_HAS_${SYMM_NAME} TRUE) endforeach(SYMM) -if((BUILD_PREBO) AND (NOT DMRG_HAS_NU1)) +if((BUILD_PREBO)) + if((NOT DMRG_HAS_NU1)) message(FATAL_ERROR "For pre-BO module, activate NU1 symmetry!") + else() + list(APPEND DMRG_DEFINITIONS -DDMRG_PREBO) + set(DMRG_PREBO TRUE) + endif() endif() ##### Dependencies ##### @@ -229,6 +241,11 @@ endif(Boost_FOUND) add_subdirectory(${ALPS_SOURCE_DIR}) list(APPEND DMRG_LIBRARIES alps) +# Eigen +# find_package(Eigen3 3.3 REQUIRED NO_MODULE) +# message("Eigen directory " ${EIGEN3_INCLUDE_DIR}) +# list(APPEND DMRG_LIBRARIES Eigen3::Eigen) + # OpenMolcas interface if (BUILD_OPENMOLCAS_INTERFACE) project (MAQUIS_DMRG CXX C Fortran) @@ -240,8 +257,8 @@ endif() ###################################################################### set(DMRG_YEAR 2021) set(DMRG_VERSION_MAJOR 3) -set(DMRG_VERSION_MINOR 0) -set(DMRG_VERSION_PATCH 5) +set(DMRG_VERSION_MINOR 1) +set(DMRG_VERSION_PATCH 0) set(DMRG_VERSION_BUILD "") if(NOT DMRG_VERSION_BUILD AND EXISTS ${PROJECT_SOURCE_DIR}/.svn) @@ -377,14 +394,19 @@ if(QCMAQUIS_TESTS) add_test(NAME Test_Integral_Map COMMAND test_integral_map) add_test(NAME Test_HiRDM COMMAND test_hirdm) add_test(NAME Test_MPS_MPO_Ops COMMAND test_mps_mpo_ops) + add_test(NAME Test_SiteProblem COMMAND test_siteproblem) add_test(NAME Test_MPS_Join COMMAND test_mpsjoin) add_test(NAME Test_Wigner COMMAND test_wigner) add_test(NAME Test_Block_Matrix COMMAND test_block_matrix) + if(BUILD_DMRG_EVOLVE) + add_test(NAME Test_Time_Evolver COMMAND test_time_evolvers) + add_test(NAME Test_Site_Shifter COMMAND test_site_shifter) + add_test(NAME Test_Time_Evolution_Sweep COMMAND test_time_evolution_sweep) + add_test(NAME Test_RealTime_Evolution COMMAND test_realtime) + add_test(NAME Test_ImaginaryTime_Evolution COMMAND test_imaginarytime) + endif(BUILD_DMRG_EVOLVE) endif(QCMAQUIS_TESTS) - - - ###################################################################### # DMRG exports ###################################################################### diff --git a/dmrg/alps/src/alps/numeric/matrix/adjoint.hpp b/dmrg/alps/src/alps/numeric/matrix/adjoint.hpp new file mode 100644 index 000000000..f3f4d8e79 --- /dev/null +++ b/dmrg/alps/src/alps/numeric/matrix/adjoint.hpp @@ -0,0 +1,65 @@ +/* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * + * * + * ALPS Project: Algorithms and Libraries for Physics Simulations * + * * + * ALPS Libraries * + * * + * Copyright (C) 2012 by Andreas Hehn * + * * + * This software is part of the ALPS libraries, published under the ALPS * + * Library License; you can use, redistribute it and/or modify it under * + * the terms of the license, either version 1 or (at your option) any later * + * version. * + * * + * You should have received a copy of the ALPS Library License along with * + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also * + * available from http://alps.comp-phys.org/. * + * * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT * + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE * + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, * + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER * + * DEALINGS IN THE SOFTWARE. * + * * + * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * */ + +#ifndef ALPS_NUMERIC_MATRIX_ADJOINT_HPP +#define ALPS_NUMERIC_MATRIX_ADJOINT_HPP + +#include + +namespace alps { +namespace numeric { + +template +inline adjoint_view adjoint(Matrix const& m) { + return adjoint_view(m); +} + +template +void adjoint_inplace(Matrix& m) { + typedef typename Matrix::size_type size_type; + using std::swap; + if(num_rows(m) == num_cols(m) ) { + for(size_type i = 0; i < num_rows(m); ++i) { + m(i, i) = std::conj(m(i, i)); + for(size_type j = i+1; j < num_cols(m); ++j) { + m(i, j) = std::conj(m(i, j)); + m(j, i) = std::conj(m(j, i)); + swap(m(i,j), m(j,i)); + } + } + } + else { + // TODO replace this code by an actual inplace implementation + Matrix m2 = adjoint(m); + swap(m,m2); + } +} + +} // end namespace numeric +} // end namespace alps + +#endif //ALPS_NUMERIC_MATRIX_ADJOINT_HPP diff --git a/dmrg/alps/src/alps/numeric/matrix/adjoint_view.hpp b/dmrg/alps/src/alps/numeric/matrix/adjoint_view.hpp new file mode 100644 index 000000000..56b3f548d --- /dev/null +++ b/dmrg/alps/src/alps/numeric/matrix/adjoint_view.hpp @@ -0,0 +1,223 @@ +/* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * + * * + * ALPS Project: Algorithms and Libraries for Physics Simulations * + * * + * ALPS Libraries * + * * + * Copyright (C) 2012 by Andreas Hehn * + * * + * This software is part of the ALPS libraries, published under the ALPS * + * Library License; you can use, redistribute it and/or modify it under * + * the terms of the license, either version 1 or (at your option) any later * + * version. * + * * + * You should have received a copy of the ALPS Library License along with * + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also * + * available from http://alps.comp-phys.org/. * + * * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR * + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, * + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT * + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE * + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, * + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER * + * DEALINGS IN THE SOFTWARE. * + * * + * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * */ + +#ifndef ALPS_MATRIX_TRANSPOSE_VIEW_HPP +#define ALPS_MATRIX_TRANSPOSE_VIEW_HPP + +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include +#include + +namespace alps { +namespace numeric { + +template +class adjoint_view; + + +template +struct transpose_helper { +}; + +template +struct transpose_helper > { + static matrix apply( adjoint_view > const& v) { + typedef typename adjoint_view >::const_col_element_iterator const_col_element_iterator; + std::vector > columns; + for(std::size_t i=0; i < num_cols(v); ++i) + columns.push_back(col(v,i)); + return matrix(columns); + } +}; + +template +class adjoint_view { + public: + // typedefs required for a std::container concept + typedef typename Matrix::value_type value_type; // The type T of the elements of the matrix + typedef typename Matrix::reference reference; // Reference to value_type + typedef typename Matrix::const_reference const_reference; // Const reference to value_type + typedef typename Matrix::size_type size_type; // Unsigned integer type that represents the dimensions of the matrix + typedef typename Matrix::difference_type difference_type; // Signed integer type to represent the distance of two elements in the memory + + // for compliance with an std::container one would also need + // -operators == != < > <= >= + // -size() + // -typedefs iterator, const_iterator + + // typedefs for matrix specific iterators + typedef typename Matrix::col_element_iterator + row_element_iterator; // Iterator to iterate through the elements of a row of the matrix + typedef typename Matrix::const_col_element_iterator + const_row_element_iterator; // Const version of row_element_iterator + typedef typename Matrix::row_element_iterator + col_element_iterator; // Iterator to iterate through the elements of a columns of the matrix + typedef typename Matrix::const_row_element_iterator + const_col_element_iterator; // Const version of col_element_iterator +// typedef matrix_element_iterator +// element_iterator; // Iterator to iterate through all elements of the matrix (REALLY SLOW! USE row_-/column_iterators INSTEAD!) +// typedef matrix_element_iterator +// const_element_iterator; // Const version of element_iterator (REALLY SLOW! USE row_-/column_iterators INSTEAD!) + + explicit adjoint_view(Matrix const& m) + : m_(m){ + }; + + operator Matrix() const { + return transpose_helper::apply(*this); + } + + inline value_type& operator()(size_type i, size_type j) { + return std::conj(m_(j,i)); + } + + inline value_type const& operator()(size_type i, size_type j) const { + return std::conj(m_(j,i)); + } + + inline size_type num_rows() const { + return m_.num_cols(); + } + + inline size_type num_cols() const { + return m_.num_rows(); + } + + inline difference_type stride1() const { + return m_.stride2(); + } + + inline difference_type stride2() const { + return m_.stride1(); + } + + inline std::pair row(size_type row = 0) + { + return m_.col(row); + } + + inline std::pair row(size_type row = 0) const + { + return m_.col(row); + } + inline std::pair col(size_type col = 0 ) + { + return m_.row(col); + } + inline std::pair col(size_type col = 0 ) const + { + return m_.row(col); + } + + private: + Matrix const& m_; +}; + +template +std::ostream& operator << (std::ostream& os, adjoint_view const& m) +{ + detail::print_matrix(os,m); + return os; +} + +// +// Implement the default matrix interface +// + +ALPS_IMPLEMENT_MATRIX_INTERFACE(adjoint_view,) + +// +// Specializations +// + +template +struct entity > +{ + typedef tag::matrix type; +}; + +template +struct multiply_return_type,tag::matrix,tag::matrix> +: multiply_return_type +{ +}; + +template +struct multiply_return_type,Matrix2,tag::matrix,tag::matrix> +: multiply_return_type +{ +}; + +template +struct multiply_return_type,adjoint_view,tag::matrix,tag::matrix> +: multiply_return_type +{ +}; + +template +struct plus_minus_return_type, Matrix2, tag::matrix, tag::matrix> +: plus_minus_return_type +{ +}; + +template +struct plus_minus_return_type, tag::matrix, tag::matrix> +: plus_minus_return_type +{ +}; + +template +struct plus_minus_return_type, adjoint_view, tag::matrix, tag::matrix> +: plus_minus_return_type +{ +}; + + +template +Matrix conj(adjoint_view const& t) +{ + Matrix m(t); + conj_inplace(m); + return m; +} + +template +struct supports_blas > : supports_blas{}; + +} // end namespace numeric +} // end namespace alps + +#endif // ALPS_MATRIX_TRANSPOSE_VIEW_HPP + diff --git a/dmrg/alps/src/alps/numeric/matrix/algorithms.hpp b/dmrg/alps/src/alps/numeric/matrix/algorithms.hpp index e333c74e0..df54bcb31 100644 --- a/dmrg/alps/src/alps/numeric/matrix/algorithms.hpp +++ b/dmrg/alps/src/alps/numeric/matrix/algorithms.hpp @@ -34,7 +34,7 @@ #include #include #include - +#include #include #include #include @@ -351,13 +351,32 @@ namespace alps { } template - matrix exp_hermitian (matrix M, T const & alpha=1) + matrix exp_hermitian (matrix M, T const & alpha=1, + bool doShift=false) { matrix N, tmp; typename associated_real_vector >::type Sv(num_rows(M)); - + typedef typename boost::numeric::bindings::remove_imaginary< T >::type real_type; + // heev(M, N, Sv); - + // Finds the maximum value of the eigevalues and subtract it + if (doShift) { + real_type maxEigen; + if (std::real(alpha) > 0.) { + maxEigen = 0.; + for (int iElement = 0; iElement < num_rows(M); iElement++) + if (std::real(Sv[iElement]) > maxEigen) + maxEigen = std::real(Sv[iElement]); + } + else { + maxEigen = std::real(Sv[0]); + for (int iElement = 1; iElement < num_rows(M); iElement++) + if (std::real(Sv[iElement]) < maxEigen) + maxEigen = std::real(Sv[iElement]); + } + for (int iElement = 0; iElement < num_rows(M); iElement++) + Sv[iElement] -= maxEigen; + } typename associated_diagonal_matrix >::type S(Sv); S = exp(alpha*S); gemm(N, S, tmp); diff --git a/dmrg/alps/src/boost/numeric/bindings/lapack/driver/gesvd.hpp b/dmrg/alps/src/boost/numeric/bindings/lapack/driver/gesvd.hpp index 6acb56437..188560bf5 100644 --- a/dmrg/alps/src/boost/numeric/bindings/lapack/driver/gesvd.hpp +++ b/dmrg/alps/src/boost/numeric/bindings/lapack/driver/gesvd.hpp @@ -384,8 +384,11 @@ struct gesvd_impl< Value, typename boost::enable_if< is_complex< Value > >::type bindings::begin_value(u), bindings::stride_major(u), bindings::begin_value(vt), bindings::stride_major(vt), &opt_size_work, -1, bindings::begin_value(tmp_rwork) ); - bindings::detail::array< value_type > tmp_work( - traits::detail::to_int( opt_size_work ) ); + // Workaround for MKL which reports too small work arrays on query sometimes + auto cmplx_opt_work = std::max(traits::detail::to_int( opt_size_work ), + min_size_work(jobu, jobvt, bindings::size_row(a), + bindings::size_column(a), minmn)); + bindings::detail::array< value_type > tmp_work(cmplx_opt_work); return invoke( jobu, jobvt, a, s, u, vt, workspace( tmp_work, tmp_rwork ) ); } diff --git a/dmrg/alps/src/boost/numeric/bindings/lapack/driver/heevd.hpp b/dmrg/alps/src/boost/numeric/bindings/lapack/driver/heevd.hpp index f76767d9b..6ca2a3762 100644 --- a/dmrg/alps/src/boost/numeric/bindings/lapack/driver/heevd.hpp +++ b/dmrg/alps/src/boost/numeric/bindings/lapack/driver/heevd.hpp @@ -206,9 +206,10 @@ struct heevd_impl< Value, typename boost::enable_if< is_real< Value > >::type > typedef typename result_of::uplo_tag< MatrixA >::type uplo; real_type opt_size_work = 0; fortran_int_t opt_size_iwork = 0; - auto iTmp = detail::heevd( jobz, uplo(), bindings::size_column(a), - bindings::begin_value(a), bindings::stride_major(a), - bindings::begin_value(w), &opt_size_work, -1, &opt_size_iwork, -1 ); + std::ptrdiff_t iTmp = detail::heevd( jobz, uplo(), bindings::size_column(a), + bindings::begin_value(a), bindings::stride_major(a), + bindings::begin_value(w), &opt_size_work, -1, &opt_size_iwork, + -1 ); // Workaround for MKL which reports too small work arrays on query sometimes // (as implemented by Leon Freitag in the SVD) auto real_opt_work = std::max(traits::detail::to_int( opt_size_work ), @@ -331,17 +332,18 @@ struct heevd_impl< Value, typename boost::enable_if< is_complex< Value > >::type typedef typename result_of::uplo_tag< MatrixA >::type uplo; value_type opt_size_work; real_type opt_size_rwork; - fortran_int_t opt_size_iwork; - detail::heevd( jobz, uplo(), bindings::size_column(a), - bindings::begin_value(a), bindings::stride_major(a), - bindings::begin_value(w), &opt_size_work, -1, &opt_size_rwork, - -1, &opt_size_iwork, -1 ); + fortran_int_t opt_size_iwork = 0; + std::ptrdiff_t iTmp = detail::heevd( jobz, uplo(), bindings::size_column(a), + bindings::begin_value(a), bindings::stride_major(a), + bindings::begin_value(w), &opt_size_work, -1, &opt_size_rwork, + -1, &opt_size_iwork, -1 ); bindings::detail::array< value_type > tmp_work( traits::detail::to_int( opt_size_work ) ); bindings::detail::array< real_type > tmp_rwork( traits::detail::to_int( opt_size_rwork ) ); - bindings::detail::array< fortran_int_t > tmp_iwork( - opt_size_iwork ); + auto iDim = std::max(min_size_iwork( jobz, bindings::size_column(a)), + static_cast(opt_size_iwork)); + bindings::detail::array< fortran_int_t > tmp_iwork(iDim); return invoke( jobz, a, w, workspace( tmp_work, tmp_rwork, tmp_iwork ) ); } diff --git a/dmrg/applications/CMakeLists.txt b/dmrg/applications/CMakeLists.txt index c371154a3..eca16dec6 100644 --- a/dmrg/applications/CMakeLists.txt +++ b/dmrg/applications/CMakeLists.txt @@ -14,4 +14,8 @@ if (BUILD_MPS_COMPRESS) add_subdirectory(compress) endif (BUILD_MPS_COMPRESS) -add_subdirectory(tools) \ No newline at end of file +if (BUILD_DMRG_EVOLVE) + add_subdirectory(evolve) +endif (BUILD_DMRG_EVOLVE) + +add_subdirectory(tools) diff --git a/dmrg/applications/evolve/CMakeLists.txt b/dmrg/applications/evolve/CMakeLists.txt new file mode 100644 index 000000000..5973cff2f --- /dev/null +++ b/dmrg/applications/evolve/CMakeLists.txt @@ -0,0 +1,12 @@ +add_definitions(-DHAVE_ALPS_HDF5 -DDISABLE_MATRIX_ELEMENT_ITERATOR_WARNING -DALPS_DISABLE_MATRIX_ELEMENT_ITERATOR_WARNING) + +include_directories(. ${CMAKE_CURRENT_BINARY_DIR}) + +set(DMRG_APP_LIBRARIES maquis_dmrg dmrg_models dmrg_utils ${DMRG_LIBRARIES}) + +# *** Targets +add_executable(dmrg_evolve dmrg_evolve.cpp) +target_link_libraries(dmrg_evolve ${DMRG_APP_LIBRARIES}) + +# *** Install +install(TARGETS dmrg_evolve RUNTIME DESTINATION bin COMPONENT applications) diff --git a/dmrg/applications/evolve/dmrg_evolve.cpp b/dmrg/applications/evolve/dmrg_evolve.cpp new file mode 100644 index 000000000..486b256ae --- /dev/null +++ b/dmrg/applications/evolve/dmrg_evolve.cpp @@ -0,0 +1,69 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#include "utils/io.hpp" // has to be first include because of impi +#include +#include +#include +#include +#include +#include "utils/data_collector.hpp" +#include "utils/timings.h" +#include "maquis_dmrg.h" +#include "dmrg/utils/DmrgOptions.h" + + +int main(int argc, char ** argv) +{ + std::cout << " SCINE QCMaquis \n" + << " Quantum Chemical Density Matrix Renormalization group\n" + << " available from https://scine.ethz.ch/download/qcmaquis\n" + << " based on the ALPS MPS codes from http://alps.comp-phys.org/\n" + << " copyright (c) 2015-2018 Laboratory of Physical Chemistry, ETH Zurich\n" + << " copyright (c) 2012-2016 by Sebastian Keller\n" + << " copyright (c) 2016-2021 by Alberto Baiardi, Leon Freitag, \n" + << " Stefan Knecht, Yingjin Ma \n" + << " for details see the publication: \n" + << " A. Baiardi, J. Chem. Theory Comput. 17, 3320 (2021)\n" + << std::endl; + + DmrgOptions opt(argc, argv); + if (opt.valid) { + maquis::cout.precision(10); + DCOLLECTOR_SET_SIZE(gemm_collector, opt.parms["max_bond_dimension"]+1) + DCOLLECTOR_SET_SIZE(svd_collector, opt.parms["max_bond_dimension"]+1) + timeval now, then, snow, sthen; + gettimeofday(&now, NULL); + maquis::DMRGInterface> interface(opt.parms); + interface.evolve(); + gettimeofday(&then, NULL); + double elapsed = then.tv_sec-now.tv_sec + 1e-6 * (then.tv_usec-now.tv_usec); + DCOLLECTOR_SAVE_TO_FILE(gemm_collector, "collectors.h5", "/results") + DCOLLECTOR_SAVE_TO_FILE(svd_collector, "collectors.h5", "/results") + maquis::cout << "Task took " << elapsed << " seconds." << std::endl; + } +} + diff --git a/dmrg/doc/qcmaquis_manual.tex b/dmrg/doc/qcmaquis_manual.tex index 4be4a5a4a..254ca3634 100644 --- a/dmrg/doc/qcmaquis_manual.tex +++ b/dmrg/doc/qcmaquis_manual.tex @@ -1517,67 +1517,90 @@ \subsubsection{Keywords for expectation value calculations}\label{sec:prop-qcm} \end{longtable} \FloatBarrier -\subsection{QCMaquis input example}\label{sec:input-qcm} +\subsection{QCMaquis input example} +\label{sec:input-qcm} -Listing~\ref{lst:qcm} provides an input example for a DMRG-CASCI calculation. It assumes that an integral file \texttt{FCIDUMP} has been generated and placed in the same directory with the input file. The mandatory keywords are indicated in red, and the optional keywords in blue. The \texttt{FCIDUMP} for this particular example has been generated by the \mol-\qcm{} interface with the \texttt{001.input} input file from the \mol-\qcm{} test directory. +Listing~\ref{lst:qcm} provides an input example for a DMRG-CASCI calculation. +It assumes that an integral file \texttt{FCIDUMP} has been generated and placed in the same directory with the input file. +The mandatory keywords are indicated in red, and the optional keywords in blue. +The \texttt{FCIDUMP} for this particular example has been generated by the \mol-\qcm{} interface with the \texttt{001.input} input file from the \mol-\qcm{} test directory. \begin{lstlisting}[language=qcmaquis,caption={Input example for a DMRG-CASCI(8,8) standalone \qcm{} calculation},label=lst:qcm] - //active-space dependent parameters -L = 8 -nelec = 8 -// target symmetry (spin and spatial) of the wave function: -// 2*spin = 0 (singlet) + totally symmetric point group irrep -spin = 0 -irrep = 0 -//parameters to control the actual DMRG calculation -nsweeps = 8 -max_bond_dimension = 256 -conv_thresh = 1e-6 -// initialization procedure -init_state = 'default' -// technical parameters -symmetry = 'su2u1pg' -integral_cutoff = 1e-40 -truncation_initial = 1e-50 -truncation_final = 1e-7 -chkpfile = 'chkp.h5' -resultfile = 'result.h5' -integral_file = "FCIDUMP" -storagedir = '/scratch/$USER/boundaries' -LATTICE = "orbitals" -lattice_library = "coded" -MODEL = "quantum_chemistry" -model_library = "coded" -//all expectation value calculations required for entropy measures -MEASURE[ChemEntropy] + // Lattice size (= number of orbitals) + L = 8 + // Number of electrons + nelec = 8 + // Target symmetry (spin and spatial) of the wave function: + // 2*spin = 0 (singlet) + spin = 0 + // Wavefunction irreducible representation (0 == totally symmetric) + irrep = 0 + // Parameters to control the actual DMRG calculation + nsweeps = 8 + max_bond_dimension = 256 + conv_thresh = 1e-6 + // MPS initialization + init_state = 'default' + // Wave function symmetry (su2u1pg for spin-adapted DMRG + point group) + symmetry = 'su2u1pg' + // Threshold below which integrals inside the integral_file are neglected + integral_cutoff = 1e-40 + // Threshold for the SVD truncation for the initial sweeps + truncation_initial = 1e-16 + // Threshold for the SVD truncation for the final sweeps + truncation_final = 1e-7 + // HDF5 file where the MPS will be stored + chkpfile = 'chkp.h5' + // HDF5 file where the results of the DMRG calculations will be stored + resultfile = 'result.h5' + // File with the one- and two-body integrals + integral_file = "FCIDUMP" + // Path to the scratch folder + storagedir = '/scratch/$USER/boundaries' + // Lattice-related parameters (not to be changed for qc calculations) + LATTICE = "orbitals" + lattice_library = "coded" + MODEL = "quantum_chemistry" + model_library = "coded" + // List of measurements to be performed at the end of the optimization + MEASURE[ChemEntropy] = 1 \end{lstlisting} +\subsection{\qcm\ examples library} +\label{sec:examples} -%\clearpage -\clearpage -\newpage +We provide in the folder \texttt{example} a set of example input files to run the different kinds of DMRG-based calculations that are supported by \qcm{}. +These example calculations are organized in different folder, one per feature provided by \qcm, as listed below: + +\begin{itemize} + \item \texttt{iTD-DMRG}: example calculation (\texttt{H2\_2e4o.iTD.SS.inp}) of an imaginary-time DMRG calculation. The integral file is generated for the H$_2$ molecule and based on the 6-31G basis set. + Note that the calculation should be run with the executable \texttt{applications/evolve/dmrg\_evolve}, which is generated by setting the \texttt{BUILD\_DMRG\_EVOLVE} CMake flag to \texttt{ON}. + We provide also the input for running a conventional \texttt{DMRG} calculation (\texttt{H2\_2e4o.TI.SS.inp}), which must be run with the \texttt{applications/dmrg/dmrg} executable and should return the same energy as the iTD-DMRG simulation. + \item \texttt{TD-DMRG}: example calculation of a real-time DMRG calculation. The integral file is associated with the $\pi$ orbital space (CAS(6,6)) of benzene calculated with the 6-31G* basis set. As already noted above, the calculations should be run with the \texttt{applications/evolve/dmrg\_evolve} executable. + Note that the initial state for the propagation is a random MPS (the \texttt{init\_state} keyword is set to \texttt{default}). + Therefore, the calculation does not correspond to any physically meaningful non-equilibrium process. + However, this calculation can be used to assess that the \texttt{dmrg\_evolve} executable has been compiled correctly by verifying that the energy is conserved along the propagation. + For this example calculation we provide the input files for both the single-site (\texttt{Benzene\_6e6o.TD.SS.inp}) and the two-site (\texttt{Benzene\_6e6o.TD.TS.inp}) propagators. +\end{itemize} + +For all input files, we provide also the corresponding output file that can be used as a reference to ensure that the \qcm\ executables have been compiled correctly. \subsection{QCMaquis pre-Born--Oppenheimer module}\label{sec:preBO} -The pre-Born--Oppenheimer (pre-BO) module within QCMaquis provides a tool to perform -DMRG-CASCI calculations of \textit{multicomponent} systems consisting of multiple spin-$\frac12$ -particle types. - -QCMaquis follows the formatting of the integral file shown in -Listing~\ref{lst:prebodump}. The first line with only a single float, -contains a constant shift in energy, e.g., point-charge repulsion of classical -nuclei. -The following lines contain the terms in the Hamiltonian where pairs of numbers -$m-n$ describe a single second-quantization operator. The first number denotes -the particle type (starting with 0) and the second number the orbital index of -the given particle type (also starting with 0 for all types). -We assume physics notation and normal-ordering, i.e., the following would be a -valid term +The \qcm\ pre-Born--Oppenheimer (pre-BO) module provides a tool to perform DMRG-CASCI calculations for \textit{multicomponent} Hamiltonians consisting of multiple spin-$\frac12$ particle types. + +QCMaquis follows the formatting of the integral file shown in Listing~\ref{lst:prebodump}. +The first line, with only a single float, contains a constant shift in energy, e.g., point-charge repulsion of classical nuclei. +The following lines contain the terms in the Hamiltonian where pairs of numbers $m-n$ describe a single second-quantization operator. +The first number denotes the particle type (starting with 0) and the second number the orbital index associated with the given particle type (also starting with 0 for all types). +We assume physics notation and normal-ordering, i.e., the following would be a valid term + \begin{equation} \left(\int \phi_{1-1}(1)\phi_{0-1}(2)g(1,2)\phi_{1-0}(1)\phi_{0-1}(2)\right) a^\dagger_{1-1} a^\dagger_{0-1} a_{0-1} a_{1-0}\,. \end{equation} + The second and third lines contain single-paricle type \textit{hopping} terms. The fourth line stands for a single-particle type interaction, and the fifth line for an interaction between different particle types. @@ -1643,10 +1666,10 @@ \subsection{QCMaquis pre-Born--Oppenheimer module}\label{sec:preBO} \section{Additional Considerations} - \subsection{Files required and written by \qcm}\label{sec:file-req-qcm} \qcm\ requires only two files to start a calculation: + \begin{enumerate} \item an input file, see Listing~\ref{lst:qcm} for example \item an integral file in the \texttt{FCIDUMP} format as described in Ref. \citenum{fcidump}. @@ -1662,8 +1685,11 @@ \subsection{Files required and written by \qcm}\label{sec:file-req-qcm} \texttt{checkpoint-folder} or both. \end{enumerate} -\subsection{Typical workflow for a standalone QCMaquis DMRG calculation}\label{sec:workflow-qcm} +\subsection{Typical workflow for a standalone QCMaquis DMRG calculation} +\label{sec:workflow-qcm} + The usual workflow to set up, run and analyze a DMRG calculation proceeds as follows: + \begin{itemize} \item prepare an FCIDUMP integral file using the \mol-\qcm\ host program driver \cite{interface}) starting from a set of previously computed reference orbitals diff --git a/dmrg/framework/dmrg/CMakeLists.txt b/dmrg/framework/dmrg/CMakeLists.txt index a8ad41f8e..746fa22ce 100644 --- a/dmrg/framework/dmrg/CMakeLists.txt +++ b/dmrg/framework/dmrg/CMakeLists.txt @@ -53,6 +53,7 @@ get_symm_files(APPEND DMRG_MODELS_SOURCES "${CMAKE_CURRENT_BINARY_DIR}/models/mo # *** Libraries add_library(dmrg_utils STATIC block_matrix/symmetry/su2_wrapper.cpp block_matrix/symmetry.cpp utils/utils.cpp utils/DmrgOptions.cpp utils/time_stopper.cpp utils/proc_statm.cpp utils/proc_status.cpp utils/BaseParameters.cpp utils/results_collector.cpp) add_library(dmrg_models STATIC ${DMRG_MODELS_SOURCES}) +#target_link_libraries(dmrg_models Eigen3::Eigen) set_property(TARGET dmrg_utils dmrg_models PROPERTY POSITION_INDEPENDENT_CODE TRUE) diff --git a/dmrg/framework/dmrg/block_matrix/block_matrix.h b/dmrg/framework/dmrg/block_matrix/block_matrix.h index 8a75ea27f..6fdad5835 100644 --- a/dmrg/framework/dmrg/block_matrix/block_matrix.h +++ b/dmrg/framework/dmrg/block_matrix/block_matrix.h @@ -89,6 +89,11 @@ class block_matrix Index right_basis() const; DualIndex const & basis() const; + charge get_left_charge(std::size_t idx) const ; + charge get_right_charge(std::size_t idx) const ; + size_type get_left_dim(std::size_t idx) const ; + size_type get_right_dim(std::size_t idx) const ; + void shift_basis(charge diff); std::string description() const; @@ -144,6 +149,9 @@ class block_matrix size_type new_r, size_type new_c, bool pretend = false); + void add_block_to_row(block_matrix & rhs, charge r, charge c); + void add_block_to_column(block_matrix & rhs, charge r, charge c); + friend void swap(block_matrix & x, block_matrix & y) { swap(x.data_, y.data_); @@ -176,12 +184,20 @@ class block_matrix bool reasonable() const; + /** + * @brief Calculates the overlap between block matrices + * + * Note that the overlap is calculated by "vectorizing" the block matrix + */ + scalar_type scalar_overlap(block_matrix const & rhs) const; + private: DualIndex basis_; boost::ptr_vector data_; }; #include "dmrg/block_matrix/block_matrix.hpp" + template block_matrix operator*(const typename block_matrix::scalar_type& v, block_matrix bm) @@ -198,6 +214,22 @@ block_matrix operator*(block_matrix bm, return bm; } +template +block_matrix operator/(const typename block_matrix::scalar_type& v, + block_matrix bm) +{ + bm /= v; + return bm; +} + +template +block_matrix operator/(block_matrix bm, + const typename block_matrix::scalar_type& v) +{ + bm /= v; + return bm; +} + template block_matrix operator+(block_matrix b1, block_matrix const& b2) { diff --git a/dmrg/framework/dmrg/block_matrix/block_matrix.hpp b/dmrg/framework/dmrg/block_matrix/block_matrix.hpp index 859961f32..170462ffb 100644 --- a/dmrg/framework/dmrg/block_matrix/block_matrix.hpp +++ b/dmrg/framework/dmrg/block_matrix/block_matrix.hpp @@ -197,6 +197,34 @@ Index block_matrix::right_basis() const template DualIndex const & block_matrix::basis() const { return basis_; } +template +typename block_matrix::charge block_matrix::get_left_charge(std::size_t idx) const +{ + assert(idx < this->n_blocks()) ; + return basis_[idx].lc ; +} + +template +typename block_matrix::charge block_matrix::get_right_charge(std::size_t idx) const +{ + assert(idx < this->n_blocks()) ; + return basis_[idx].rc ; +} + +template +typename block_matrix::size_type block_matrix::get_left_dim(std::size_t idx) const +{ + assert(idx < this->n_blocks()) ; + return basis_[idx].ls ; +} + +template +typename block_matrix::size_type block_matrix::get_right_dim(std::size_t idx) const +{ + assert(idx < this->n_blocks()) ; + return basis_[idx].rs ; +} + template typename Matrix::size_type block_matrix::n_blocks() const { return data_.size(); } @@ -560,3 +588,76 @@ std::size_t block_matrix::num_elements() const ret += num_rows(data_[k])*num_cols(data_[k]); return ret; } + +template +typename block_matrix::scalar_type +block_matrix::scalar_overlap(block_matrix const & rhs) const +{ + Index i1 = this->left_basis(); + Index i2 = rhs.left_basis(); + common_subset(i1, i2); + std::vector vt; + vt.reserve(i1.size()); + for (int b = 0; b < i1.size(); ++b) { + typename SymmGroup::charge c = i1[b].first; + size_type l = this->find_block(c, c); + size_type r = rhs.find_block(c, c); + assert( l != this->n_blocks() && r != rhs.n_blocks() ); + vt.push_back(overlap((*this)[l], rhs[r])); + } + return maquis::accumulate(vt.begin(), vt.end(), scalar_type(0.)); +} + +// +----------------+ +// ADD_BLOCK_TO_ROW +// +----------------+ +// "Merges" a given symmetry block of a block_matrix given in input with the corresponding block +// of the object + +template +void block_matrix::add_block_to_row(block_matrix & rhs, charge r, charge c) +{ + // Check coherence in the dimensions of the rows (the columns might be, in principle, different + size_type match = this->find_block(r, c); + if (match < this->n_blocks()) { + // + assert (num_cols(rhs(r, c)) == num_cols((*this)(r, c))) ; + size_t num_row_toadd = num_rows(rhs(r, c)) ; + size_t num_row_original = num_rows((*this)(r, c)) ; + size_t num_cols_common = num_cols((*this)(r, c)) ; + // + this->resize_block(r, c, num_row_original+num_row_toadd, num_cols_common, false); + for (std::size_t idx1 = 0; idx1 < num_row_toadd; idx1++) + for (std::size_t idx2 = 0; idx2 < num_cols_common; idx2++) + (*this)(r, c)(idx1 + num_row_original, idx2) = rhs(r, c)(idx1, idx2); + } else { + insert_block(rhs(r,c), r, c); + } +} + +// +-------------------+ +// ADD_BLOCK_TO_COLUMN +// +-------------------+ +// "Merges" a given symmetry block of a block_matrix given in input with the corresponding block +// of the object. If the requested symmetry block is not present, + +template +void block_matrix::add_block_to_column(block_matrix & rhs, charge r, charge c) +{ + // Check coherence in the dimensions of the rows (the columns might be, in principle, different + size_type match = this->find_block(r, c); + if (match < this->n_blocks()) { + // + assert (num_rows(rhs(r, c)) == num_rows((*this)(r, c))) ; + size_t num_col_toadd = num_cols(rhs(r, c)) ; + size_t num_col_original = num_cols((*this)(r, c)) ; + size_t num_rows_common = num_rows((*this)(r, c)); + // + this->resize_block(r, c, num_rows((*this)(r, c)), num_col_toadd+num_col_original, false); + for (std::size_t idx1 = 0; idx1 < num_rows_common; idx1++) + for (std::size_t idx2 = 0; idx2 < num_col_toadd; idx2++) + (*this)(r, c)(idx1, idx2 + num_col_original) = rhs(r, c)(idx1, idx2); + } else { + insert_block(rhs(r,c), r, c); + } +} diff --git a/dmrg/framework/dmrg/block_matrix/block_matrix_algorithms.h b/dmrg/framework/dmrg/block_matrix/block_matrix_algorithms.h index f3076684c..2adcfe250 100644 --- a/dmrg/framework/dmrg/block_matrix/block_matrix_algorithms.h +++ b/dmrg/framework/dmrg/block_matrix/block_matrix_algorithms.h @@ -583,10 +583,14 @@ block_matrix conjugate(block_matrix m) } template -block_matrix adjoint(block_matrix m) +block_matrix::type, SymmGroup> adjoint(block_matrix const & m) { - m.adjoint_inplace(); - return m; + block_matrix::type, SymmGroup> ret; + for (int k = 0; k < m.n_blocks(); k++) + ret.insert_block(adjoint(m[k]), m.basis().right_charge(k), m.basis().left_charge(k)); + if (!m.size_index.empty()) + ret.index_sizes(); + return ret; } template diff --git a/dmrg/framework/dmrg/evolve/SingleSiteTimeEvolution.hpp b/dmrg/framework/dmrg/evolve/SingleSiteTimeEvolution.hpp new file mode 100644 index 000000000..6170d3bb6 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/SingleSiteTimeEvolution.hpp @@ -0,0 +1,238 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef SINGLESITETIMEEVOLUTION_H +#define SINGLESITETIMEEVOLUTION_H + +#include "dmrg/mp_tensors/mpo_ops.h" +#include "dmrg/evolve/TimeEvolutionSweep.h" +#include "dmrg/utils/DmrgParameters.h" + +/** + * @brief Class implementing the single-site time-evolution algorithm with a sweep-based Trotter decomposition. + * @tparam Matrix: type of the matrix underlying the MPSTensor class. + * @tparam SymmGroup: class representing the group of the molecule. + * 2tparam Storage: class for the storage. + */ + +template +class SingleSiteTimeEvolution : public TimeEvolutionSweep +{ +public: + // Types definition + typedef typename Matrix::value_type value_type; + typedef TimeEvolutionSweep base; + // Members and methods inherited from the base class. + using base::energy; + using base::initial_site; + using base::isHermitian_; + using base::iteration_results_; + using base::L_; + using base::left_; + using base::mpo_; + using base::mps_; + using base::parms_; + using base::performFinalOperations; + using base::perturber_; + using base::right_; + using base::site_shifter_; + using base::stop_callback; + using base::time_evolver_; + using base::time_step_; + + /** + * @brief Constructor of the SingleSiteTimeEvolution class. + * @param mps: MPS to be propagated. + * @param mpo: MPO representation of the Hamiltonian + * @param tdmpo: (optional) MPO representation of the time-dependent part of the MPO. + * @param has_td_perturb: if true, a time-dependent perturbation is present. + * @param parms: parameter container. + * @param stop_callback: stopping criteria. + * @param initial_site_: site in which the optimization is started. + */ + SingleSiteTimeEvolution(MPS & mps, MPO const & mpo, + BaseParameters & parms, boost::function stop_callback, int initial_site_ = 0) + : base(mps, mpo, parms, stop_callback, to_site(mps.length(), initial_site_)) { }; + + /** + * @brief Convert a number in [0,2L] to the actual site in [0,L] by mapping [L+1,2L] to [0,L] according to a backward sweep. + * @param L: overall size of the chain. + * @param i: index to be converted. + * @return the converted index. + */ + inline int to_site(const int L, const int i) const + { + if (i < 0) return 0; + return (i < L) ? i : 2*L - 1 - i; + } + + /** + * @brief Routine to perform a sweep (that can be forward, backward or both of them. + * @param sweep: index of the current sweep. + * @param d: enum indicating if the sweep is forward, backward or both of them. + */ + void evolve_sweep(int sweep) override { + // Initialization + boost::chrono::high_resolution_clock::time_point sweep_now = boost::chrono::high_resolution_clock::now(); + // Clears the vector with the results of the previous iteration + iteration_results_.clear(); + typename MPSTensor::scalar_type dipole; + std::size_t L = mps_.length(); + int _site = 0, site; + if (initial_site != -1) + _site = initial_site; + Storage::prefetch(left_[_site]); + Storage::prefetch(right_[_site+1]); + // Main loop + for (; _site < 2*L_; ++_site) { + boost::chrono::high_resolution_clock::time_point now, then; + site = to_site(L_, _site); + int lr = (_site < L) ? +1 : -1; + print_header(sweep, site, lr); + if (lr == -1 && site == L - 1) { + maquis::cout << "Syncing storage" << std::endl; + Storage::sync(); + } + // Storage management. + Storage::fetch(left_[site]); + Storage::fetch(right_[site+1]); + if (lr == +1 && site+2 <= L) + Storage::prefetch(right_[site+2]); + if (lr == -1 && site > 0) + Storage::prefetch(left_[site-1]); + assert( left_[site].reasonable()); + assert( right_[site+1].reasonable()); + std::pair::type, MPSTensor > res; + SiteProblem sp(left_[site], right_[site+1], mpo_[site]); + // +-----------------+ + // MAIN PART: sweep. + // +-----------------+ + std::cout << std::endl; + std::cout << "Forward propagating the " << site << "-th MPSTensor " << std::endl; + time_evolver_->evolve(sp, mps_[site], false); + if (site == 0) { + energy = ietl::get_energy(sp, mps_[site]); + res.first = energy; + maquis::cout << " Energy after = " << res.first << std::endl; + maquis::cout << " Energy with core = " << res.first + mpo_.getCoreEnergy() << std::endl; + } + res = std::make_pair(energy, mps_[site]); + // +---------------------+ + // Collection of results + // +---------------------+ + auto prec = maquis::cout.precision(); + maquis::cout.precision(15); + maquis::cout.precision(prec); + iteration_results_["Energy"] << res.first + mpo_.getCoreEnergy(); + // Loads the noise parameter + double alpha, time_step_effective; + int ngs = parms_.template get("ngrowsweeps"), nms = parms_.template get("nmainsweeps"); + if (sweep < ngs) + alpha = parms_.template get("alpha_initial"); + else if (sweep < ngs + nms) + alpha = parms_.template get("alpha_main"); + else + alpha = parms_.template get("alpha_final"); + // + if (sweep > ngs && parms_.is_set("time_step_larger")) + time_step_effective = parms_["time_step_larger"]; + else + time_step_effective = time_step_; + perturber_->update_alpha(alpha) ; + // Update of the MPS + double cutoff = this->get_cutoff(sweep); + int Mmax = this->get_Mmax(sweep); + truncation_results trunc; + // +---------------------+ + // TRUNCATION OF THE MPS + // +---------------------+ + // -- FORWARD SWEEP -- + if (lr == +1) { + if (site < L - 1) { + maquis::cout << " Alpha = " << alpha << std::endl; + trunc = site_shifter_->shiftSiteTD(mpo_, left_, right_, alpha, cutoff, Mmax, Mmax, perturber_->is_perturb_dm()); + Storage::drop(right_[site+1]); + Storage::evict(left_[site]); + site_shifter_->forward_shift(); + } else { + time_evolver_->add_to_current_time(time_step_effective); + site_shifter_->revert(); + this->boundary_left_step(mpo_, site); + } + // -- BACKWARD SWEEP -- + } else if (lr == -1) { + if (site > 0) { + maquis::cout << " Alpha = " << alpha << std::endl; + trunc = site_shifter_->shiftSiteTD(mpo_, left_, right_, alpha, cutoff, Mmax, Mmax, perturber_->is_perturb_dm()); + Storage::drop(left_[site]); + Storage::evict(right_[site+1]); + site_shifter_->backward_shift(); + } else { + time_evolver_->add_to_current_time(time_step_effective); + site_shifter_->revert(); + this->boundary_right_step(mpo_, site); + } + } + // +----------------+ + // Final operations + // +----------------+ + iteration_results_["BondDimension"] << trunc.bond_dimension; + iteration_results_["TruncatedWeight"] << trunc.truncated_weight; + iteration_results_["SmallestEV"] << trunc.smallest_ev; + boost::chrono::high_resolution_clock::time_point sweep_then = boost::chrono::high_resolution_clock::now(); + double elapsed = boost::chrono::duration(sweep_then - sweep_now).count(); + maquis::cout << " Sweep has been running for " << elapsed << " seconds. \n" << std::endl; + parallel::meminfo(); + if (stop_callback()) + throw dmrg::time_limit(sweep, _site + 1); + } + performFinalOperations(); + }; + +private: + /** + * @brief Prints the header in the log file for each sweep. + * @param sweep: index of the sweep. + * @param site: site of the optimization. + * @param lr: direction of the optimization + */ + void print_header(int& sweep, int& site, int& lr) { + char buffer[40]; + int n, a; + if (lr == 1) { + a = 2*sweep+1; + n = sprintf(buffer, " Sweep number %3d - site number %3d", a, site); + } else { + a = 2*sweep+2; + n = sprintf(buffer, " Sweep number %3d - site number %3d", a, site); + } + std::cout << " +-----------------------------------+" << std::endl; + std::cout << buffer << std::endl; + std::cout << " +-----------------------------------+" << std::endl; + } +}; + +#endif diff --git a/dmrg/framework/dmrg/evolve/TimeEvolutionSweep.h b/dmrg/framework/dmrg/evolve/TimeEvolutionSweep.h new file mode 100644 index 000000000..5598376cf --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolutionSweep.h @@ -0,0 +1,270 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2014 Institute for Theoretical Physics, ETH Zurich + * 2011-2011 by Bela Bauer + * 2017 by Alberto Baiardi + * + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef TIMEEVOLUTIONSWEEP_H +#define TIMEEVOLUTIONSWEEP_H + +#ifdef DMRG_TD + +#include +#if not defined(WIN32) && not defined(WIN64) +#include +#define HAVE_GETTIMEOFDAY +#endif + +#include +#include "utils/sizeof.h" +#include "dmrg/utils/BaseParameters.h" +#include "dmrg/utils/results_collector.h" +#include "dmrg/utils/storage.h" +#include "dmrg/utils/time_limit_exception.h" +#include "dmrg/utils/parallel/placement.hpp" +#include "dmrg/utils/checks.h" +#include "dmrg/evolve/TimeEvolvers/timeevolver.h" +#include "dmrg/evolve/siteshifter.h" +#include "dmrg/evolve/perturber.h" +#include "dmrg/mp_tensors/siteproblem.h" +#include "dmrg/mp_tensors/zerositeproblem.h" +#include "dmrg/mp_tensors/boundary.h" + +#include + +/** + * @brief TimeEvolutionSweep class + * + * Class representing an algorithm that performs the time-evolution of an MPS in a sweep=based fashion. + * From this base virtual class, two classes are derived, namely the single-site and the two-sites + * evolution. + */ + +template +class TimeEvolutionSweep +{ + using contr = contraction::Engine::type, SymmGroup>; + using boundary = Boundary::type, SymmGroup>; + using boundaries_type = std::vector< boundary >; + using PerturberType = Perturber; + using scalar_type = typename MPSTensor::scalar_type; + using magnitude_type = typename MPSTensor::magnitude_type; + using TimeEvolverType = TimeEvolver; + using SiteShifterType = SiteShifter; +public: + //! Class constructor + TimeEvolutionSweep(MPS& mps , MPO const & mpo, + BaseParameters & parms, boost::function stop_callback_, int site=0) + : mps_(mps), mpo_(mpo), parms_(parms), stop_callback(stop_callback_), + do_backpropagation_(true), time_step_(parms["time_step"]), + isHermitian_(true), initial_site(site) +{ + // Sets overall sizes + L_ = mps_.length(); + left_.resize(L_+1); + right_.resize(L_+1); + // Generate classes needed for propagation + time_evolver_ = std::make_shared(parms_); + time_step_ = time_evolver_->get_time(); + if (parms_["TD_backpropagation"] == "no") + do_backpropagation_ = false; + mps_.canonize(0); + init_left_right(mpo, site); + maquis::cout << "Done init_left_right" << std::endl; + // Objects taking care of the movement to the next site of the optimization + perturber_ = std::make_shared< PerturberType >(left_, right_, mpo_, parms_); + site_shifter_ = std::make_shared< SiteShifterType >(mps_, time_evolver_, perturber_, site, do_backpropagation_); + } + + /** Virtual destructor */ + virtual ~TimeEvolutionSweep() = default; + + /** + * @brief Virtual method that must be overloaded by different implementations of the [TimeEvolutionSweep] algorithm. + * @param sweep: index of the sweep that is currently done. + * @param d: direction of the sweep (enum, can be LeftOnly, RightOnly or Both). + */ + virtual void evolve_sweep(int sweep) = 0; + + /** + * @brief Method called at the end of each (forward/backward) sweep. + */ + void performFinalOperations() { + initial_site = -1; + } + + /** Getter for the struct containing the results. */ + results_collector const& iteration_results() const { + return iteration_results_; + } + + /** + * @brief Get the energy at the current iteration. + * @return magnitude_type energy of the MPS + */ + magnitude_type get_energy() { + return energy; + } + +protected: + /** + * @brief Method that builds the boundaries for the initial MPS. + * Calls the same methods that are called when the boundaries are moved one step forward/backward. + * @param mpo: Matrix Product Operator representation of the Hamiltonian. + * @param site: initial size of the sweep optimization. + */ + void init_left_right(MPO const & mpo, int site) + { + parallel::construct_placements(mpo_); + Storage::drop(left_[0]); + left_[0] = mps_.left_boundary(); + for (size_t i = 0; i < site; ++i) { + Storage::drop(left_[i+1]); + boundary_left_step(mpo, i); + Storage::evict(left_[i]); + Storage::sync(); + } + Storage::evict(left_[site]); + maquis::cout << "Partial initialization of boundaries completed.\n"; + Storage::drop(right_[L_]); + right_[L_] = mps_.right_boundary(); + for (int i = L_-1; i >= site; --i) { + Storage::drop(right_[i]); + boundary_right_step(mpo, i); + Storage::evict(right_[i+1]); + Storage::sync(); + } + Storage::evict(right_[site]); + maquis::cout << "Full initialization of boundaries completed.\n"; + } + + /** + * @brief Given the MPS and the left boundaries at site i, calculates the new boundaries at site i+1. + * @param mpo: MPO representation of the operator associated to the boundaries. + * @param site: site for which the boundaries are shifted. + */ + inline void boundary_left_step(MPO const & mpo, int site) + { + left_[site+1] = contr::overlap_mpo_left_step(mps_[site], mps_[site], left_[site], mpo_[site]); + } + + /** + * @brief Given the MPS and the tight boundaries at site i+1, calculates the new boundaries at site i. + * @param mpo: MPO representation of the operator associated to the boundaries. + * @param site: site for which the boundaries are shifted. + */ + inline void boundary_right_step(MPO const & mpo, int site) + { + right_[site] = contr::overlap_mpo_right_step(mps_[site], mps_[site], right_[site+1], mpo_[site]); + } + + /** + * @brief Logarithmic interpolation routine + * @param y0: initial value for the interpolation. + * @param y1: final value for the interpolation. + * @param N: overall number of points. + * @param i: point for which the interpolated curve is evaluated. + * @return interpolated value. + */ + inline double log_interpolate(double y0, double y1, int N, int i) const + { + if (N < 2) + return y1; + if (y0 == 0) + return 0; + double x = log(y1/y0)/(N-1); + return y0*exp(x*i); + } + + /** + * @brief Getter for the cutoff parameter. + * + * This method retrieves, for a given sweep, the value of the threshold to be used in the truncation of the MPS. + * Note that, for the first ngrowsweeps, the threshold is calculated according to a logarithmic decay between + * the parameters truncation_initial and truncation_final. After that, the threshold is set to truncation_final + * and kept constant. + * + * @param sweep: index of the sweep. + * @return threshold for the truncation of the MPS. + */ + double get_cutoff(int sweep) const + { + double cutoff; + if (sweep >= parms_.template get("ngrowsweeps")) + cutoff = parms_.template get("truncation_final"); + else + cutoff = this->log_interpolate(parms_.template get("truncation_initial"), + parms_.template get("truncation_final"), + parms_.template get("ngrowsweeps"), sweep); + std::cout << "Cutoff - " << cutoff << std::endl ; + return cutoff; + } + + /** + * @brief Retrieves the maximum value of the bond dimension that is employed in the MPS truncation. + * @param sweep: index of the current sweep. + * @return: the maximum value of the bond dimension. + */ + std::size_t get_Mmax(int sweep) const + { + std::size_t Mmax; + if (parms_.is_set("sweep_bond_dimensions")) { + std::vector ssizes = parms_.template get >("sweep_bond_dimensions"); + if (sweep >= ssizes.size()) + Mmax = *ssizes.rbegin(); + else + Mmax = ssizes[sweep]; + } else + Mmax = parms_.template get("max_bond_dimension"); + return Mmax; + } + + /* PRIVATE ATTRIBUTES */ + /* Size of the lattice and initial site of the optimization */ + int L_, initial_site; + /* Struct collecting the result of the sweep */ + results_collector iteration_results_; + /* Parameter container */ + BaseParameters& parms_; + magnitude_type energy; + boost::function stop_callback; + boundaries_type left_, right_; + std::shared_ptr< TimeEvolver< Matrix, SymmGroup, BaseParameters > > time_evolver_; + std::shared_ptr< SiteShifter< Matrix, SymmGroup, TimeEvolver, PerturberType > > site_shifter_; + std::shared_ptr perturber_; + // MPSs and MPOs + MPS& mps_; + MPO const& mpo_; + // Quantum dynamics simulations + bool do_backpropagation_, isHermitian_; + double time_step_; +}; + +#include "SingleSiteTimeEvolution.hpp" +#include "TwoSiteTimeEvolution.hpp" + +#endif // BUILD_DMRG_EVOLVE + +#endif diff --git a/dmrg/framework/dmrg/evolve/TimeEvolvers/LanczosEvolver.cpp b/dmrg/framework/dmrg/evolve/TimeEvolvers/LanczosEvolver.cpp new file mode 100644 index 000000000..42c665ca9 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolvers/LanczosEvolver.cpp @@ -0,0 +1,177 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2019 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +template +template +void LanczosEvolver::evolve_kernel(const SiteProblem& site_problem, MatrixType& matrix, + bool is_forward, time_type time_current, time_type time_step) const +{ + // Types definition + //using matrix_type = Eigen::Matrix< typename MatrixType::scalar_type, Eigen::Dynamic, Eigen::Dynamic >; + //using vector_type = Eigen::Matrix< typename MatrixType::scalar_type, Eigen::Dynamic, 1 >; + using matrix_type = alps::numeric::matrix< typename MatrixType::scalar_type >; + using vector_type = std::vector< typename MatrixType::scalar_type >; + // Initialization. + MatrixType buffer_vector; + double error; + typename MatrixType::real_type norm_local; + typename MatrixType::scalar_type alpha, beta; + typename std::vector lanczos_space; + // -- Outer loop -- + // This is the loop over the exponential factors. + for (int iExp = 0; iExp < numberOfExponentials; iExp++) { + std::size_t local_dim = 1; + matrix_type matrix_representation(max_iter_, max_iter_); + vector_type result_vector(1); + lanczos_space.resize(0); + lanczos_space.reserve(max_iter_); + // First step of the Lanczos iteration + print_header(); + lanczos_space.push_back(matrix); + buffer_vector = applyOperator(lanczos_space[0], site_problem, iExp, time_current, is_forward); + alpha = ietl::dot(matrix, buffer_vector); + if (is_forward) + matrix_representation(0,0) = -alpha; + else + matrix_representation(0,0) = alpha; + buffer_vector -= alpha*lanczos_space[0]; + // +-----------+ + // MAIN LOOP + // +-----------+ + for (std::size_t idx = 1; idx < max_iter_; idx++) { + // -- ACTUAL CALCULATION OF THE EXPONENTIAL -- + apply_exponential(matrix_representation, result_vector, local_dim); + matrix = result_vector[0]*lanczos_space[0]; + for (std::size_t i = 1; i < local_dim; i++) + matrix += result_vector[i]*lanczos_space[i]; + if (is_imag_) + matrix /= ietl::two_norm(matrix); + // Check if the norm of the new Lanczos vector is non-zero + norm_local = ietl::two_norm(buffer_vector); + if (local_dim == 1) + error = norm_local; + else + error = std::norm(result_vector[local_dim-1])*norm_local; + // Temporary representation of the matrix + local_dim++; + print_data(local_dim-1, error); + if (norm_local < 1.0E-20 || error < threshold_) { + print_line(); + break; + } else { + // Update of the vector space + buffer_vector /= norm_local; + lanczos_space.push_back(buffer_vector); + // Generation of the new vector + buffer_vector = applyOperator(lanczos_space[idx], site_problem, iExp, time_current, is_forward); + alpha = ietl::dot(buffer_vector, lanczos_space[idx]); + buffer_vector -= alpha*lanczos_space[idx] + norm_local*lanczos_space[idx-1]; + //matrix_representation.conservativeResize(idx+1, idx+1); + if (is_forward) { + matrix_representation(idx, idx) = -alpha; + matrix_representation(idx-1, idx) = -norm_local; + matrix_representation(idx, idx-1) = -norm_local; + } else { + matrix_representation(idx, idx) = alpha; + matrix_representation(idx-1, idx) = norm_local; + matrix_representation(idx, idx-1) = norm_local; + } + } + if (idx == max_iter_-1) + print_line(); + } + } +}; + +template +template +MatrixType LanczosEvolver::applyOperator(const MatrixType& inputVec, const SiteProblem& site_problem, + int idExp, time_type time_current, bool is_forward) const { + MatrixType outputVec; + if (has_td_part_) { + for (int iExp = 0; iExp < numberOfFactorsPerExponential; iExp++) { + if (iExp == 0) { + outputVec = factorsAndSteps[idExp][iExp].first*apply_hamiltonian(inputVec, site_problem); + } + else { + outputVec += factorsAndSteps[idExp][iExp].first*apply_hamiltonian(inputVec, site_problem); + } + // Adds the TD part + //outputVec += factorsAndSteps[idExp][iExp].first*site_problem.apply_td_part(inputVec, time_current+time_step_*factorsAndSteps[idExp][iExp].second); + } + } + else { + outputVec = apply_hamiltonian(inputVec, site_problem); + } + return outputVec; +} + +template +template +void LanczosEvolver::apply_exponential(MatrixType& hamiltonian_matrix, VectorType& ret, std::size_t local_dim_) const +{ + // Types definition + //using ArgType = typename MatrixType::Scalar; + using ArgType = typename MatrixType::value_type; + matrix_complex H_hess(local_dim_, local_dim_); + // + for (std::size_t i = 0; i < local_dim_; i++) { + for (std::size_t j = 0; j < local_dim_; j++) { + if (i==j || i==j+1 || i==j-1) { + //if (!is_imag_) { + H_hess(i, j) = initial_convert(hamiltonian_matrix(i,j)); + //} + //else { + // H_hess(i, j) = -initial_convert(hamiltonian_matrix(i,j))*std::complex(time_step_, 0.); + //} + } + else { + H_hess(i, j) = std::complex(0., 0.); + } + } + } + matrix_complex expM; + auto coeff = (is_imag_) ? -std::complex(time_step_, 0.) : std::complex(0., time_step_); + expM = alps::numeric::exp_hermitian(H_hess, coeff, is_imag_); + /* + if (is_imag_) { + // For imaginary-time propagations, we might encounter large numbers, shifts the diagonal. + Eigen::ComplexEigenSolver es; + es.compute(H_hess); + matrix_complex exponentialOfEigenValues = matrix_complex(es.eigenvalues().asDiagonal()) + - matrix_complex::Identity(local_dim_, local_dim_)*es.eigenvalues().real().maxCoeff(); + expM = es.eigenvectors()*exponentialOfEigenValues.exp()*es.eigenvectors().transpose(); + } + else { + expM = H_hess.exp(); + } + */ + ret.resize(local_dim_); + for (std::size_t idx = 0; idx < local_dim_; idx++) + ret[idx] = final_convert(expM(0, idx)); +} \ No newline at end of file diff --git a/dmrg/framework/dmrg/evolve/TimeEvolvers/LanczosEvolver.h b/dmrg/framework/dmrg/evolve/TimeEvolvers/LanczosEvolver.h new file mode 100644 index 000000000..ac92e0c27 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolvers/LanczosEvolver.h @@ -0,0 +1,177 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2021 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef MAQUIS_DMRG_LANCZOSEVOLVER_H +#define MAQUIS_DMRG_LANCZOSEVOLVER_H + +#ifdef DMRG_TD + +#include +//#include +//#include +#include "TimeEvolutionAlgorithm.h" + +enum class TimeStepDistributor { ExponentialMidpoint, FourthOrderMagnus, Standard }; + +/** + * @brief Trait class that defines the intermediate time-steps and coefficients + * for all available Lanczos-type propagators. + */ + +template +struct TimeStepTraits {}; + +template<> +struct TimeStepTraits { + static constexpr int numberOfExponentials = 1; + static constexpr int numberOfFactorsPerExponential = 1; + using InternalValueType = std::array, 1>; + using FactorsType = std::array; + static constexpr FactorsType factorsAndSteps = {{std::make_pair(1., 0.5)}}; +}; + +template<> +struct TimeStepTraits { + static constexpr int numberOfExponentials = 2; + static constexpr int numberOfFactorsPerExponential = 2; + using InternalValueType = std::array, 2>; + using FactorsType = std::array; + static constexpr FactorsType factorsAndSteps + = { InternalValueType({std::make_pair((3.-2.*sqrt(3.))/12., 0.5+sqrt(3.)/6.), std::make_pair((3.+2.*sqrt(3.))/12., 0.5-sqrt(3.)/6.)}), + InternalValueType({std::make_pair((3.+2.*sqrt(3.))/12., 0.5+sqrt(3.)/6.), std::make_pair((3.-2.*sqrt(3.))/12., 0.5-sqrt(3.)/6.)}) }; +}; + +template<> +struct TimeStepTraits { + static constexpr int numberOfExponentials = 1; + static constexpr int numberOfFactorsPerExponential = 1; + using InternalValueType = std::array, 1>; + using FactorsType = std::array; + static constexpr FactorsType factorsAndSteps = {{std::make_pair(1., 1.)}}; +}; + +template +class LanczosEvolver : public TimeEvolutionAlgorithm { + + /** Types definition */ + using complex_type = std::complex; + using base = typename TimeEvolutionAlgorithm::TimeEvolutionAlgorithm; + using scalar_type = typename MPSTensor::scalar_type; + using time_type = typename base::time_type; + //using matrix_complex = Eigen::Matrix< complex_type, Eigen::Dynamic, Eigen::Dynamic >; + //using vector_complex = Eigen::Matrix< complex_type, Eigen::Dynamic, 1 >; + using matrix_complex = alps::numeric::matrix< complex_type >; + using vector_complex = std::vector< complex_type >; + using FactorsType = typename TimeStepTraits::FactorsType; + + /** Types inheritance */ + using base::has_td_part_; + using base::is_imag_; + using base::time_step_; + using base::apply_hamiltonian; + + public: + + /* Class constructor */ + LanczosEvolver(time_type time_step, bool has_td, bool is_imag, double threshold, std::size_t max_iter) + : base(time_step, has_td, is_imag), threshold_(threshold), max_iter_(max_iter) {} + + /* Time evolution method */ + void evolve(SiteProblem const& site_problem, MPSTensor& matrix, + bool is_forward, time_type time_current, time_type time_step) const { + evolve_kernel(site_problem, matrix, is_forward, time_current, time_step); + } + + void evolve(ZeroSiteProblem const& site_problem, block_matrix& matrix, + bool is_forward, time_type time_current, time_type time_step) const { + evolve_kernel(site_problem, matrix, is_forward, time_current, time_step); + } + + private: + + /* Kernel for the time evolution part */ + template + void evolve_kernel(SiteProblem const& site_problem, MatrixType& matrix, bool is_forward, time_type time_current, + time_type time_step) const; + + /* Private method interfacing to Eigen matrix exponential calculator */ + template + void apply_exponential(MatrixType& hamiltonian_matrix, VectorType& ret, size_t local_dim_) const; + template + MatrixType applyOperator(const MatrixType& inputVec, const SiteProblem& site_problem, int idExp, time_type time_current, bool is_forward) const; + + /* Real --> Complex conversion routines */ + template< class ArgType, typename std::enable_if< std::is_same::value>::type * = nullptr > + complex_type initial_convert(const ArgType& input) const { return std::complex(input, 0.) ; }; + template< class ArgType, typename std::enable_if< std::is_same< typename std::complex, ArgType >::value>::type * = nullptr > + complex_type initial_convert(const ArgType& input) const { return input ; }; + template< class ArgType, typename std::enable_if< std::is_same::value>::type * = nullptr > + ArgType final_convert(const complex_type& input) const { return std::real(input) ; }; + template< class ArgType, typename std::enable_if< std::is_same< typename std::complex, ArgType >::value>::type * = nullptr > + ArgType final_convert(const complex_type& input) const { return input ; }; + + /* Methods to print the results of the Lanczos algorithm. */ + void print_header() const { + print_line() ; + std::cout << " ITERATION | ERROR " << std::endl ; + print_line() ; + } + void print_line() const { + std::cout << "+------------+------------+" << std::endl ; + } + void print_data(std::size_t n_iter, time_type error) const { + char buf[100] ; + int n = sprintf(buf, " %2d | %1.4E ", static_cast(n_iter), error) ; + std::cout << buf << std::endl ; + }; + + /* Class members */ + std::size_t max_iter_; + double threshold_; + static const FactorsType factorsAndSteps; + static const int numberOfExponentials; + static const int numberOfFactorsPerExponential; +}; + +template +constexpr int LanczosEvolver::numberOfExponentials + = TimeStepTraits::numberOfExponentials; + +template +constexpr int LanczosEvolver::numberOfFactorsPerExponential + = TimeStepTraits::numberOfFactorsPerExponential; + +template +constexpr typename LanczosEvolver::FactorsType + LanczosEvolver::factorsAndSteps = TimeStepTraits::factorsAndSteps; + +#include "LanczosEvolver.cpp" + +#endif // DMRG_TD + +#endif // MAQUIS_DMRG_RKEVOLVER_H \ No newline at end of file diff --git a/dmrg/framework/dmrg/evolve/TimeEvolvers/RKEvolver.cpp b/dmrg/framework/dmrg/evolve/TimeEvolvers/RKEvolver.cpp new file mode 100644 index 000000000..0ed173283 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolvers/RKEvolver.cpp @@ -0,0 +1,84 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2021 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +template +template +void RKEvolver::evolve_kernel(SiteProblem const& site_problem, MatrixType& matrix, bool is_forward, + time_type time_current, time_type time_step) const +{ + // Typedef + typedef typename MatrixType::value_type ArgType; + // Variable initialization + MatrixType mps_k1, mps_k2, mps_k3, mps_k4, buffer; + // First RK vector + mps_k1 = apply_hamiltonian(matrix, site_problem); + //if (has_td_part_) + // mps_k1 += site_problem.apply_td_part(matrix, time_current); + mps_k1 *= time_step; + FinalRescaling(mps_k1, is_forward); + // Second RK vector + buffer = matrix + mps_k1/2.; + mps_k2 = apply_hamiltonian(buffer, site_problem); + //if (has_td_part_) + // mps_k2 += site_problem.apply_td_part(buffer, time_current+time_step/2.); + mps_k2 *= time_step; + FinalRescaling(mps_k2, is_forward); + // Third RK vector + buffer = matrix + mps_k2/2.; + mps_k3 = apply_hamiltonian(buffer, site_problem); + //if (has_td_part_) + // mps_k3 += site_problem.apply_td_part(buffer, time_current+time_step/2.); + mps_k3 *= time_step; + FinalRescaling(mps_k3, is_forward); + // Fourth RK vector + buffer = matrix + mps_k3; + mps_k4 = apply_hamiltonian(buffer, site_problem); + //if (has_td_part_) + // mps_k4 += site_problem.apply_td_part(buffer, time_current+time_step); + mps_k4 *= time_step; + FinalRescaling(mps_k4, is_forward); + // Final retrieval of the output + matrix += (mps_k1 + 2.*mps_k2 + 2.*mps_k3 + mps_k4)/6.; + if (is_imag_) + matrix /= ietl::two_norm(matrix); +}; + +template +template +void RKEvolver::FinalRescaling(MatrixType& input_mat, bool is_forward) const { + typedef typename MatrixType::value_type ArgType; + if (!is_imag_) { + if (!is_forward) + inverse_final_rescale(input_mat); + else + final_rescale(input_mat); + } else { + input_mat *= -1.; + } +} + diff --git a/dmrg/framework/dmrg/evolve/TimeEvolvers/RKEvolver.h b/dmrg/framework/dmrg/evolve/TimeEvolvers/RKEvolver.h new file mode 100644 index 000000000..68bf429b0 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolvers/RKEvolver.h @@ -0,0 +1,91 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2021 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef MAQUIS_DMRG_RKEVOLVER_H +#define MAQUIS_DMRG_RKEVOLVER_H + +#ifdef DMRG_TD + +#include "TimeEvolutionAlgorithm.h" + +/** + * @brief Class implementing a fourth-order RK propagation scheme for MPSs. + */ +template +class RKEvolver : public TimeEvolutionAlgorithm { + public: + /* Types definition */ + using base = TimeEvolutionAlgorithm; + using scalar_type = typename MPSTensor::scalar_type; + using time_type = typename base::time_type; + using base::has_td_part_; + using base::is_imag_; + using base::time_step_; + using base::apply_hamiltonian; + + /* Class constructor */ + RKEvolver(time_type time_step, bool has_td_part, bool is_imag) : base(time_step, has_td_part, is_imag) {}; + + /* Time-evolution method. Interfaces calling the main kernel routine */ + void evolve(SiteProblem const& site_problem, MPSTensor& matrix, + bool is_forward, time_type time_current, time_type time_step) const + { + this->evolve_kernel(site_problem, matrix, is_forward, time_current, time_step); + }; + void evolve(ZeroSiteProblem const& site_problem, block_matrix& matrix, + bool is_forward, time_type time_current, time_type time_step) const + { + this->evolve_kernel(site_problem, matrix, is_forward, time_current, time_step); + }; + private: + + /* Kernel for the time evolution */ + template + void evolve_kernel(SiteProblem const& site_problem, MatrixType& matrix, bool is_forward, time_type time_current, + time_type time_step) const; + + /* Routine for the rescaling of the matrix to obtain, in the end, a complex value */ + template< class ArgType, class MatrixType, typename std::enable_if< std::is_same::value>::type * = nullptr > + void final_rescale(MatrixType& input) const { }; + template< class ArgType, class MatrixType, typename std::enable_if< std::is_same< typename std::complex, ArgType >::value>::type * = nullptr > + void final_rescale(MatrixType& input) const { input *= std::complex(0., 1.) ; }; + template< class ArgType, class MatrixType, typename std::enable_if< std::is_same::value>::type * = nullptr > + void inverse_final_rescale(MatrixType& input) const { }; + template< class ArgType, class MatrixType, typename std::enable_if< std::is_same< typename std::complex, ArgType >::value>::type * = nullptr > + void inverse_final_rescale(MatrixType& input) const { input *= std::complex(0., -1.) ; }; + + /** Routine to add the scaling factor to the RK vectors. */ + template + void FinalRescaling(MatrixType& input_mat, bool is_forward) const; +}; + +#include "RKEvolver.cpp" + +#endif // DMRG_TD + +#endif //MAQUIS_DMRG_RKEVOLVER_H diff --git a/dmrg/framework/dmrg/evolve/TimeEvolvers/TimeEvolutionAlgorithm.h b/dmrg/framework/dmrg/evolve/TimeEvolvers/TimeEvolutionAlgorithm.h new file mode 100644 index 000000000..0ddbc1b1d --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolvers/TimeEvolutionAlgorithm.h @@ -0,0 +1,81 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2019 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef MAQUIS_DMRG_TIMEEVOLUTIONALGORITHM_H +#define MAQUIS_DMRG_TIMEEVOLUTIONALGORITHM_H + +#include "dmrg/mp_tensors/mpstensor.h" +#include "dmrg/block_matrix/block_matrix.h" +#include "dmrg/mp_tensors/siteproblem.h" +#include "dmrg/mp_tensors/zerositeproblem.h" + +/** + * @brief Virtual class representing an algorithm to propagate an MPS + * + * This is the base class for all site-centered time-evolution algorithms. + * It must implement an evolve method for both SiteProblem and ZeroSiteProblem + * objects. + */ + +template +class TimeEvolutionAlgorithm { + public: + /** Types definition */ + using time_type = double; + using scalar_type = typename MPSTensor::scalar_type; + + /** + * @brief Class constructor + * @param time_step Time-step (in au) for the propagation. + * @param has_td_part Whether the MPO has a time-dependent part (NYI). + * @param is_imag true if the propagation is an imaginary-time propagation. + */ + explicit TimeEvolutionAlgorithm(time_type time_step, bool has_td_part, bool is_imag) + : time_step_(time_step), has_td_part_(has_td_part), is_imag_(is_imag) {}; + + /** Virtual destructor */ + virtual ~TimeEvolutionAlgorithm() = default; + + /** Interface to the time-evolution methods */ + virtual void evolve(SiteProblem const& site_problem, MPSTensor& matrix, + bool is_forward, time_type time_current, time_type time_step) const = 0; + virtual void evolve(ZeroSiteProblem const& site_problem, block_matrix& matrix, + bool is_forward, time_type time_current, time_type time_step) const = 0; + + /** Wrapper around the method to propagate a MatrixType (SiteProblem or ZeroSiteProblem) objects */ + template + MatrixType apply_hamiltonian(MatrixType const& matrix, SiteProblem const& site_problem) const { + return site_problem.apply(matrix); + }; + protected: + /** Class members */ + bool has_td_part_, is_imag_; + time_type time_step_; +}; + +#endif diff --git a/dmrg/framework/dmrg/evolve/TimeEvolvers/timeevolver.cpp b/dmrg/framework/dmrg/evolve/TimeEvolvers/timeevolver.cpp new file mode 100644 index 000000000..9580850a6 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolvers/timeevolver.cpp @@ -0,0 +1,118 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2021 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#include + +// -- Empty constructor -- +/* +template +TimeEvolver::TimeEvolver() : accuracy_(1.0E-6), is_imag_(false), max_iterations_(100), + time_step_(1.) +{ + time_step_ /= (2.418884326505E-2*219474.63E0) ; + time_step_ /= 2. ; +}; +*/ + +// -- Constructor from parameter object -- +template +TimeEvolver::TimeEvolver(ParameterType& parms) : accuracy_(parms["propagator_accuracy"]), + is_imag_(false), has_td_part_(false), + max_iterations_(parms["propagator_maxiter"]), + time_step_(parms["time_step"]), + time_current_(0.) +{ + if (parms["imaginary_time"] == "yes") + is_imag_ = true; + time_step_ /= 2.; + // Set the time step. Check also all relevant units conversion. + if (parms["hamiltonian_units"] == "Hartree") { + if (parms["time_units"] == "fs") + time_step_ *= 41.341374575751; + else if (parms["time_units"] == "as") + time_step_ *= 0.041341374575751; + else + throw std::runtime_error("Units for the time variable not yet supported"); + } + else { + throw std::runtime_error("Units for the Hamiltonian not yet supported"); + } + // Checks if it has a TD part + if (parms.is_set("TD_perturbation")) { + has_td_part_ = true; + std::string intAlgo = parms["TD_integration_algorithm"]; + if (intAlgo == "RungeKutta") { + time_evolution_algorithm_ = std::make_unique< RKEvolver >(time_step_, has_td_part_, is_imag_); + } + else if (intAlgo == "EMR2") { + time_evolution_algorithm_ = std::make_unique< LanczosEMR >(time_step_, has_td_part_, is_imag_, accuracy_, max_iterations_); + // This must be decommented once it works. + //useExtrapolated_ = true; + } + else if (intAlgo == "CF4") { + time_evolution_algorithm_ = std::make_unique< LanczosFourthOrder>(time_step_, has_td_part_, is_imag_, accuracy_, max_iterations_); + } + else { + throw std::runtime_error("TD integration algorithm not recognized"); + } + } else { + time_evolution_algorithm_ = std::make_unique< LanczosTI >(time_step_, has_td_part_, is_imag_, accuracy_, max_iterations_); + } +}; + +template +typename TimeEvolver::time_type + TimeEvolver::get_time() const +{ + return this->time_step_; +} + +template +typename TimeEvolver::time_type + TimeEvolver::get_time_current() +{ + return this->time_current_; +} + +template +void TimeEvolver::add_to_current_time(time_type time_step) +{ + time_current_ += time_step; +} + +// +-------+ +// METHODS +// +-------+ + +template +template +void TimeEvolver::evolve(SiteProblem const& site_problem, MatrixType& matrix, + bool is_forward) const +{ + time_evolution_algorithm_->evolve(site_problem, matrix, is_forward, time_current_, time_step_); +} \ No newline at end of file diff --git a/dmrg/framework/dmrg/evolve/TimeEvolvers/timeevolver.h b/dmrg/framework/dmrg/evolve/TimeEvolvers/timeevolver.h new file mode 100644 index 000000000..436b96fe7 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TimeEvolvers/timeevolver.h @@ -0,0 +1,85 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2019 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef TIME_EVOLVER_H +#define TIME_EVOLVER_H + +#ifdef DMRG_TD + +#include +#include +#include + +#include "dmrg/block_matrix/indexing.h" +#include "dmrg/block_matrix/symmetry.h" +#include "dmrg/mp_tensors/mps.h" +#include "dmrg/mp_tensors/mpstensor.h" +#include "TimeEvolutionAlgorithm.h" +#include "LanczosEvolver.h" +#include "RKEvolver.h" + +/** @brief Wrapper class for time-evolution methods */ +template +class TimeEvolver { + public: + + /* Types definition */ + using dim_type = std::size_t; + using scalar_type = typename MPSTensor::scalar_type; + using time_evolution_algorithm = TimeEvolutionAlgorithm; + using time_type = double; + using LanczosTI = LanczosEvolver; + using LanczosEMR = LanczosEvolver; + using LanczosFourthOrder = LanczosEvolver; + + /* Class constructors */ + //TimeEvolver(); + explicit TimeEvolver(ParameterType& parms); + /* Getters */ + bool isImag() const { return is_imag_; }; + time_type get_time() const; + time_type get_time_current(); + void add_to_current_time(time_type time_step); + + /* Time-evolution methods */ + template + void evolve(SiteProblem const& site_problem, MatrixType& matrix, bool is_forward) const; + + private: + /* Private attributes */ + bool is_imag_, has_td_part_; + dim_type max_iterations_; + time_type accuracy_, time_step_, time_current_; + std::unique_ptr time_evolution_algorithm_; +}; + +#include "timeevolver.cpp" + +#endif // DMRG_TD + +#endif diff --git a/dmrg/framework/dmrg/evolve/TwoSiteTimeEvolution.hpp b/dmrg/framework/dmrg/evolve/TwoSiteTimeEvolution.hpp new file mode 100644 index 000000000..6a70541be --- /dev/null +++ b/dmrg/framework/dmrg/evolve/TwoSiteTimeEvolution.hpp @@ -0,0 +1,284 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef TWOSITETIMEEVOLUTION_H +#define TWOSITETIMEEVOLUTION_H + +#include "dmrg/mp_tensors/twositetensor.h" +#include "dmrg/mp_tensors/mpo_ops.h" +#include +#include "dmrg/evolve/TimeEvolutionSweep.h" +#include // Needed for std::tie + +/** + * @brief Class implementing the two-site time-evolution algorithm with a sweep-based Trotter decomposition. + * @tparam Matrix: type of the matrix underlying the MPSTensor class. + * @tparam SymmGroup: class representing the group of the molecule. + * @tparam Storage: class for the storage. + */ + +template +class TwoSiteTimeEvolution : public TimeEvolutionSweep +{ +public: + // Types definition + typedef typename Matrix::value_type value_type; + typedef TimeEvolutionSweep base; + using base::do_backpropagation_; + using base::energy; + using base::initial_site; + using base::iteration_results_; + using base::L_; + using base::left_; + using base::mpo_; + using base::mps_; + using base::parms_; + using base::performFinalOperations; + using base::right_; + using base::stop_callback; + using base::time_evolver_; + using base::time_step_; + + /** + * @brief Constructor of the TwoSiteTimeEvolution class. + * + * @param mps: MPS to be propagated. + * @param mpo: MPO representation of the Hamiltonian + * @param tdmpo: (optional) MPO representation of the time-dependent part of the MPO. + * @param has_td_perturb: if true, a time-dependent perturbation is present. + * @param parms: parameter container. + * @param stop_callback: stopping criteria. + * @param initial_site_: site in which the optimization is started. + */ + TwoSiteTimeEvolution(MPS& mps, MPO const & mpo, BaseParameters & parms_, + boost::function stop_callback_, int initial_site_ = 0) + : base(mps, mpo, parms_, stop_callback_, to_site(mps.length(), initial_site_)) + { + parallel::guard::serial guard; + make_ts_cache_mpo(mpo, ts_cache_mpo, mps); + } + + /** + * @brief Convert a number in [0,2L] to the actual site in [0,L] by mapping [L+1,2L] to [0,L] according to a backward sweep. + * + * @param L: overall size of the chain. + * @param i: index to be converted. + * @return the converted index. + */ + inline int to_site(const int L, const int i) const + { + if (i < 0) + return 0; + else + return (i < L-1) ? i : 2*L - 2 - i; + } + + /** + * @brief Routine to perform a sweep (that can be forward, backward or both of them. + * + * @param sweep: index of the current sweep. + * @param d: enum indicating if the sweep is forward, backward or both of them. + */ + void evolve_sweep(int sweep) + { + // Initialization + typename MPSTensor::scalar_type dipole; + boost::chrono::high_resolution_clock::time_point sweep_now = boost::chrono::high_resolution_clock::now(); + iteration_results_.clear(); + // Definition of the initial site + int _site = 0, site; + if (initial_site != -1) { + _site = initial_site; + site = to_site(L_, _site); + } + if (_site < L_-1) { + Storage::prefetch(left_[site]); + Storage::prefetch(right_[site+2]); + } + else { + Storage::prefetch(left_[site-1]); + Storage::prefetch(right_[site+1]); + } + // == MAIN LOOP - SWEEP OPTIMIZATION == + for (; _site < 2*L_-2; ++_site) { + int lr, site1, site2; + site = to_site(L_, _site); + if (_site < L_-1) { + lr = 1; + site1 = site; + site2 = site+1; + ts_cache_mpo[site1].placement_l = mpo_[site1].placement_l; + ts_cache_mpo[site1].placement_r = parallel::get_right_placement(ts_cache_mpo[site1], + mpo_[site1].placement_l, + mpo_[site2].placement_r); + } else { + lr = -1; + site1 = site-1; + site2 = site; + ts_cache_mpo[site1].placement_l = parallel::get_left_placement(ts_cache_mpo[site1], + mpo_[site1].placement_l, + mpo_[site2].placement_r); + ts_cache_mpo[site1].placement_r = mpo_[site2].placement_r; + } + // Printing + print_header(sweep, site1, site2, lr); + // Memory management + if (_site != L_-1) { + Storage::fetch(left_[site1]); + Storage::fetch(right_[site2+1]); + } + if (lr == +1) { + if (site2+2 < right_.size()) + Storage::prefetch(right_[site2+2]); + } else { + if (site1 > 0) + Storage::prefetch(left_[site1-1]); + } + // Create TwoSite objects. + MPSTensor twin_mps; + TwoSiteTensor two_vec(mps_[site1], mps_[site2]); + twin_mps = two_vec.make_mps(); + // Creates the SiteProblem + SiteProblem sp(left_[site1], right_[site2+1], ts_cache_mpo[site1]); + // == MAIN PART: performs the sweep == + std::pair< typename MPSTensor::magnitude_type, MPSTensor > res; + time_evolver_->evolve(sp, twin_mps, false); + if (site1 == 0) + energy = ietl::get_energy(sp, twin_mps); + res = std::make_pair(energy, twin_mps); + two_vec << twin_mps; + // +---------------------+ + // Collection of results + // +---------------------+ + twin_mps.clear(); + { + maquis::cout.precision(15); + if (site1 == 0) + maquis::cout << " Energy = " << res.first + mpo_.getCoreEnergy() << std::endl; + iteration_results_["Energy"] << res.first + mpo_.getCoreEnergy(); + } + auto prec = maquis::cout.precision(); + maquis::cout.precision(prec); + // +------------------------------------+ + // Setting up parameters for truncation + // +------------------------------------+ + double alpha; + int ngs = parms_["ngrowsweeps"], nms = parms_["nmainsweeps"]; + if (sweep < ngs) + alpha = parms_["alpha_initial"]; + else if (sweep < ngs + nms) + alpha = parms_["alpha_main"]; + else + alpha = parms_["alpha_final"]; + auto cutoff = this->get_cutoff(sweep); + auto Mmax = this->get_Mmax(sweep); + truncation_results trunc; + // +--------------------------------------+ + // Truncation of the TwoSiteTensor object + // +--------------------------------------+ + // -- Forward sweep -- + if (lr == +1) { + if (parms_["twosite_truncation"] == "svd") + boost::tie(mps_[site1], mps_[site2], trunc) = two_vec.split_mps_l2r(Mmax, cutoff); + else + boost::tie(mps_[site1], mps_[site2], trunc) = two_vec.predict_split_l2r(Mmax, cutoff, alpha, left_[site1], mpo_[site1]); + mps_[site2] /= ietl::two_norm(mps_[site2]); + two_vec.clear(); + this->boundary_left_step(mpo_, site1); + if (site2 != L_-1) { + if (do_backpropagation_) { + SiteProblem sp2(left_[site2], right_[site2+1], mpo_[site2]); + time_evolver_->evolve(sp2, mps_[site2], true); + } + } else { + time_evolver_->add_to_current_time(time_step_); + } + if (site1 != L_-2) + Storage::drop(right_[site2+1]); + // -- Backward sweep -- + } else if (lr == -1) { + if (parms_["twosite_truncation"] == "svd") + boost::tie(mps_[site1], mps_[site2], trunc) = two_vec.split_mps_r2l(Mmax, cutoff); + else + boost::tie(mps_[site1], mps_[site2], trunc) = two_vec.predict_split_r2l(Mmax, cutoff, alpha, right_[site2+1], mpo_[site2]); + two_vec.clear(); + mps_[site1] /= ietl::two_norm(mps_[site1]); + this->boundary_right_step(mpo_, site2); + if (site1 != 0) { + if (do_backpropagation_) { + SiteProblem sp2(left_[site1], right_[site1+1], mpo_[site1]); + time_evolver_->evolve(sp2, mps_[site1], true); + } + } else { + time_evolver_->add_to_current_time(time_step_); + } + if(site1 != 0) + Storage::drop(left_[site1]); + } + iteration_results_["BondDimension"] << trunc.bond_dimension; + iteration_results_["TruncatedWeight"] << trunc.truncated_weight; + iteration_results_["TruncatedFraction"] << trunc.truncated_fraction; + iteration_results_["SmallestEV"] << trunc.smallest_ev; + iteration_results_["Dipole"] << dipole; + parallel::meminfo(); + boost::chrono::high_resolution_clock::time_point sweep_then = boost::chrono::high_resolution_clock::now(); + double elapsed = boost::chrono::duration(sweep_then - sweep_now).count(); + maquis::cout << "Sweep has been running for " << elapsed << " seconds." << std::endl; + if (stop_callback()) + throw dmrg::time_limit(sweep, _site+1); + } + performFinalOperations(); + } + +private: + + /** Object where the MPO centered on two consecutive sites is stored */ + MPO ts_cache_mpo, ts_cache_td_mpo; + + /** + * @brief Printing of the header for a sweep in a two-sites optimization. + * @param sweep: number of the sweep. + * @param site1: left site of the two-sites optimization. + * @param site2: right site of the two-sites optimization. + * @param lr: direction of the sweep + */ + void print_header(int& sweep, int& site1, int& site2, int& lr){ + char buffer[50] ; + int n , a ; + if (lr == 1) { + a = 2*sweep+1 ; + n = sprintf(buffer, " Sweep number %3d - site numbers %3d and %3d", a, site1, site2); + } else { + a = 2*sweep+2 ; + n = sprintf(buffer, " Sweep number %3d - site numbers %3d and %3d", a, site1, site2); + } + std::cout << " +--------------------------------------------+" << std::endl ; + std::cout << buffer << std::endl ; + std::cout << " +--------------------------------------------+" << std::endl ; + } + +}; + +#endif diff --git a/dmrg/framework/dmrg/evolve/perturber.cpp b/dmrg/framework/dmrg/evolve/perturber.cpp new file mode 100644 index 000000000..935f6d8ee --- /dev/null +++ b/dmrg/framework/dmrg/evolve/perturber.cpp @@ -0,0 +1,91 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2014 Institute for Theoretical Physics, ETH Zurich + * 2018-2020 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 2 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#include +#include "perturber.h" +#include "dmrg/mp_tensors/contractions.h" + +// -- CONSTRUCTOR -- +template +template +Perturber::Perturber(Perturber::boundary_type const& left, Perturber::boundary_type const& right, + Perturber::MPO_type const& MPO, BaseParameters& input_pars) + : left_bound_(left), right_bound_(right), MPO_(MPO), alpha_(0.), perturb_dm_(false), + perturb_MPS_(false), thresh_scal_(1.0E-3) +{ + if (input_pars.is_set("perturbation_type")) { + if (input_pars["perturbation_type"] == "mps") + activate_perturb_mps(); + else if (input_pars["perturbation_type"] == "density_matrix") + activate_perturb_dm(); + } +} + +template +void Perturber::update_alpha(Perturber::alpha_type alpha_new) +{ + alpha_ = alpha_new ; + if (alpha_ < 1.0E-30) + perturb_MPS_ = false ; +} + +template +void Perturber::perturb_mps(MPSTensor_type& MPS, site_type site, bool is_left) const +{ + // Builds the perturber (which is a boundary) + typename Boundary::Boundary perturber; + // Generates the correct pairing + if (perturb_MPS_) { + if (is_left) { + MPS.make_left_paired(); + perturber = contraction::Engine::generate_left_mpo_basis(MPS, MPS, left_bound_[site], MPO_[site]); + perturber *= alpha_; + // Merges all the contributions of the perturber + auto ToAddBM = block_matrix(); + for (std::size_t b = 0; b < perturber.aux_dim(); ++b) { + for (std::size_t idx = 0; idx < perturber[b].n_blocks(); idx++) + if (perturber[b].get_left_charge(idx) == perturber[b].get_right_charge(idx) && perturber[b].norm() > 1.0E-10) + ToAddBM.add_block_to_column(perturber[b], perturber[b].get_left_charge(idx), + perturber[b].get_right_charge(idx)); + } + if (ToAddBM.n_blocks() != 0) + MPS.add_block_to_column(ToAddBM); + } else { + MPS.make_right_paired(); + perturber = contraction::Engine::generate_right_mpo_basis(MPS, MPS, right_bound_[site+1], MPO_[site]); + perturber *= alpha_; + auto ToAddBM = block_matrix(); + for (int b = 0; b < perturber.aux_dim(); ++b) + for (int idx = 0; idx < perturber[b].n_blocks(); idx++) + if (perturber[b].get_left_charge(idx) == perturber[b].get_right_charge(idx) && perturber[b].norm() > 1.0E-10) + ToAddBM.add_block_to_row(perturber[b], perturber[b].get_left_charge(idx), + perturber[b].get_right_charge(idx)); + if (ToAddBM.n_blocks() != 0) + MPS.add_block_to_row(ToAddBM); + } + } +} + diff --git a/dmrg/framework/dmrg/evolve/perturber.h b/dmrg/framework/dmrg/evolve/perturber.h new file mode 100644 index 000000000..f303339ec --- /dev/null +++ b/dmrg/framework/dmrg/evolve/perturber.h @@ -0,0 +1,77 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 2 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef PERTURBER_H +#define PERTURBER_H + +#include "dmrg/mp_tensors/mpstensor.h" +#include "dmrg/mp_tensors/boundary.h" +#include "dmrg/mp_tensors/mpo.h" + +/** + * @brief Class managing the addition of the noise. + * + * For now, this class implements only the noise model presented in the paper + * "A Strictly Single-Site DMRG Algorithm with Subspace Expansion" + * Phys. Rev. B 91, 155115 (2015) + * In the future, it will support also density matrix-based perturbations. + */ + +template +class Perturber +{ + // Types definition + using boundary_type = std::vector< Boundary >; + using alpha_type = double; + using MPSTensor_type = MPSTensor; + using MPO_type = MPO; + using site_type = std::size_t; +public: + // Constructor + template + Perturber(boundary_type const& left, boundary_type const& right, MPO_type const& MPO, BaseParameters& input_parms) ; + // Setter + void activate_perturb_dm() { perturb_dm_ = true ; }; + void activate_perturb_mps() { perturb_MPS_ = true ; }; + void update_alpha(alpha_type alpha_new); + // Getter + bool is_perturb_mps() const { return this->perturb_MPS_ ; }; + bool is_perturb_dm() const { return this->perturb_dm_; }; + auto getAlpha() const { return this->alpha_; }; + // Relevant methods + void perturb_mps(MPSTensor_type& MPS, site_type site, bool is_left) const; +private: + // -- Private attributes -- + const boundary_type& left_bound_; + const boundary_type& right_bound_; + const MPO_type& MPO_; + bool perturb_dm_, perturb_MPS_; + alpha_type alpha_, thresh_scal_; +}; + +#include "perturber.cpp" + +#endif \ No newline at end of file diff --git a/dmrg/framework/dmrg/evolve/siteshifter.h b/dmrg/framework/dmrg/evolve/siteshifter.h new file mode 100644 index 000000000..3be39eeab --- /dev/null +++ b/dmrg/framework/dmrg/evolve/siteshifter.h @@ -0,0 +1,105 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2021 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef SITESHIFTER_H +#define SITESHIFTER_H + +#include +#include +#include + +#include "dmrg/mp_tensors/contractions.h" +#include "dmrg/block_matrix/indexing.h" +#include "dmrg/block_matrix/symmetry.h" +#include "dmrg/mp_tensors/mps.h" +#include "dmrg/mp_tensors/mpstensor.h" +#include "dmrg/mp_tensors/mpo.h" +#include "dmrg/mp_tensors/mpotensor.h" +#include "dmrg/mp_tensors/zerositeproblem.h" +#include "dmrg/mp_tensors/siteproblem.h" +#include + +template +class SiteShifter +{ +public: + /** Types definition */ + using bm_type = typename block_matrix::block_matrix; + using MPS_type = typename MPS::MPS; + using MPO_type = typename MPO::MPO; + using MPSTen_type = typename MPSTensor::MPSTensor; + using MPOTen_type = typename MPOTensor::MPOTensor; + using value_type = typename MPS_type::value_type; + using scalar_type = typename MPS_type::scalar_type; + using real_type = double; + using boundary = Boundary::type, SymmGroup>; + using boundaries_type = std::vector< boundary >; + using contr = contraction::Engine::type, SymmGroup>; + + + /** @brief Same as above, but provides also the time-evolver */ + SiteShifter(MPS_type& MPS_input, std::shared_ptr time_evolver, std::shared_ptr perturber, + int init_site, bool back_propagate); + + /** @brief Getters for the site ref */ + auto getSite() const { return site_ref_; }; + void forward_shift() { site_ref_++; }; + void backward_shift() { site_ref_--; }; + void revert() { is_forward_ = !is_forward_; }; + + /** + * @brief Prints the MPS that is being propagated. + * @param site_index Reference site + */ + void print_MPS(int site_index) { std::cout << this->MPS_[site_index] << std::endl ; }; + + /** @brief Standard site shifting */ + truncation_results shiftSiteTI(const MPO_type& mpo, boundaries_type& left, boundaries_type& right, + double alpha, double cutoff, std::size_t Mmax, std::size_t Mval, bool perturb_dm); + + /** @brief TD site shifting (inclused the back-propagation of the zero-site tensor) */ + truncation_results shiftSiteTD(const MPO_type& mpo, boundaries_type& left, boundaries_type& right, + double alpha, double cutoff, std::size_t Mmax, std::size_t Mval, bool perturb_dm); + + private: + // -- PRIVATE METHODS -- + void perform_propagation(const MPOTen_type& mpo_ten_left, const MPOTen_type& mpo_ten_right, const boundary& left, + const boundary& right); + + // -- PRIVATE ATTRIBUTES -- + bm_type zerosite_tensor_; + std::shared_ptr time_evolver_; + std::shared_ptr perturber_; + MPS_type& MPS_; + bool is_forward_, back_propagate_; + int site_ref_; +}; + +#include "siteshifter.hpp" + +#endif diff --git a/dmrg/framework/dmrg/evolve/siteshifter.hpp b/dmrg/framework/dmrg/evolve/siteshifter.hpp new file mode 100644 index 000000000..2b68151d2 --- /dev/null +++ b/dmrg/framework/dmrg/evolve/siteshifter.hpp @@ -0,0 +1,151 @@ +/***************************************************************************** + * + * ALPS Project: Algorithms and Libraries for Physics Simulations + * + * ALPS Libraries + * + * Copyright (C) 2021 by Alberto Baiardi + * + * This software is part of the ALPS libraries, published under the ALPS + * Library License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Library License along with + * the ALPS Libraries; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#include "siteshifter.h" + +template +SiteShifter::SiteShifter(MPS_type& MPS_input, std::shared_ptr timeEvolver, + std::shared_ptr perturber, int init_site, bool backPropagate) + : MPS_(MPS_input), is_forward_(true), back_propagate_(backPropagate), site_ref_(init_site), zerosite_tensor_(), + time_evolver_(timeEvolver), perturber_(perturber) +{ + assert (site_ref_ >= 0 && site_ref_ < MPS_.size()) ; +} + +template +truncation_results SiteShifter::shiftSiteTI(MPO_type const& mpo, boundaries_type& left, boundaries_type& right, + double alpha, double cutoff, std::size_t Mmax, std::size_t Mval, + bool perturb_dm) +{ + // -- Variable declaration -- + truncation_results trunc; + MPSTen_type res; + MPSTen_type tmp = MPS_[site_ref_]; + // -- SVD truncation of MPSTensor -- + if (is_forward_) { + // Simple checks + assert(site_ref_ < MPS_.size()-1 ); + tmp.make_left_paired(); + perturber_->perturb_mps(tmp, site_ref_, true); + // Actual calculation + boost::tie(res, trunc) = + contraction::Engine::predict_new_state_l2r_sweep(tmp, mpo[site_ref_], + left[site_ref_], right[site_ref_+1], + alpha, cutoff, Mmax, perturb_dm); + res.make_left_paired(); + MPS_[site_ref_].make_left_paired(); + gemm(transpose(conjugate(res.data())), MPS_[site_ref_].data(), zerosite_tensor_); + left[site_ref_+1] = contr::overlap_mpo_left_step(res, res, left[site_ref_], mpo[site_ref_]); + MPS_[site_ref_] = res; + MPS_[site_ref_+1].multiply_from_left(zerosite_tensor_); + } else { + // Simple check + assert(site_ref_ > 0) ; + tmp.make_right_paired() ; + perturber_->perturb_mps(tmp, site_ref_, false); + // Actual calculation + boost::tie(res, trunc) + = contraction::Engine::predict_new_state_r2l_sweep(tmp, mpo[site_ref_], + left[site_ref_], right[site_ref_+1], + alpha, cutoff, Mmax, perturb_dm); + // MPS perturbation + res.make_right_paired(); + MPS_[site_ref_].make_right_paired(); + gemm(MPS_[site_ref_].data(), transpose(conjugate(res.data())), zerosite_tensor_); + right[site_ref_] = contr::overlap_mpo_right_step(res, res, right[site_ref_+1], mpo[site_ref_]); + MPS_[site_ref_-1].multiply_from_right(zerosite_tensor_); + MPS_[site_ref_] = res; + } + return trunc ; +} + +template +truncation_results SiteShifter::shiftSiteTD(const MPO_type& mpo, boundaries_type& left, boundaries_type& right, + double alpha, double cutoff, std::size_t Mmax, std::size_t Mval, + bool perturb_dm) +{ + // -- Variable declaration -- + truncation_results trunc; + MPSTen_type res; + MPSTen_type tmp = MPS_[site_ref_]; + // -- SVD truncation of MPSTensor -- + if (is_forward_) { + // Simple checks + assert(site_ref_ < MPS_.size()-1 ); + tmp.make_left_paired(); + perturber_->perturb_mps(tmp, site_ref_, true); + // Actual calculation + boost::tie(res, trunc) = + contraction::Engine::predict_new_state_l2r_sweep(tmp, mpo[site_ref_], + left[site_ref_], right[site_ref_+1], + alpha, cutoff, Mmax, perturb_dm); + res.make_left_paired(); + MPS_[site_ref_].make_left_paired(); + gemm(transpose(conjugate(res.data())), MPS_[site_ref_].data(), zerosite_tensor_); + left[site_ref_+1] = contr::overlap_mpo_left_step(res, res, left[site_ref_], mpo[site_ref_]); + // Final update + if (back_propagate_) + perform_propagation(mpo[site_ref_], mpo[site_ref_+1], left[site_ref_+1], right[site_ref_+1]); + MPS_[site_ref_] = res; + MPS_[site_ref_+1].multiply_from_left(zerosite_tensor_); + } else { + // Simple check + assert(site_ref_ > 0) ; + tmp.make_right_paired() ; + auto idx_old = MPS_[site_ref_].data().left_basis(); + perturber_->perturb_mps(tmp, site_ref_, false); + // Actual calculation + boost::tie(res, trunc) + = contraction::Engine::predict_new_state_r2l_sweep(tmp, mpo[site_ref_], + left[site_ref_], right[site_ref_+1], + alpha, cutoff, Mmax, perturb_dm); + // MPS perturbation + res.make_right_paired(); + MPS_[site_ref_].make_right_paired(); + gemm(MPS_[site_ref_].data(), transpose(conjugate(res.data())), zerosite_tensor_); + right[site_ref_] = contr::overlap_mpo_right_step(res, res, right[site_ref_+1], mpo[site_ref_]); + // Final update + if (back_propagate_) + perform_propagation(mpo[site_ref_-1], mpo[site_ref_], left[site_ref_], right[site_ref_]); + MPS_[site_ref_-1].multiply_from_right(zerosite_tensor_); + MPS_[site_ref_] = res; + } + return trunc ; +} + +template +void SiteShifter::perform_propagation(const MPOTen_type& mpo_ten_left, const MPOTen_type& mpo_ten_right, + const boundary& left, const boundary& right) +{ + if (back_propagate_) { + std::cout << std::endl ; + std::cout << "Backward propagating the ZeroSiteTensor object " << std::endl ; + auto zsp = ZeroSiteProblem(mpo_ten_left, mpo_ten_right, left, right); + time_evolver_->evolve(zsp, zerosite_tensor_, true); + } +} diff --git a/dmrg/framework/dmrg/models/chem/rel/model.h b/dmrg/framework/dmrg/models/chem/rel/model.h index fe80615b4..0c6681238 100644 --- a/dmrg/framework/dmrg/models/chem/rel/model.h +++ b/dmrg/framework/dmrg/models/chem/rel/model.h @@ -84,10 +84,12 @@ class rel_qc_model : public model_impl // type == site for lattice = spinors return phys_indices[type]; } + tag_type identity_matrix_tag(size_t type) const { return ident[type]; } + tag_type filling_matrix_tag(size_t type) const { return fill[type]; @@ -96,9 +98,9 @@ class rel_qc_model : public model_impl bool is_term_allowed(int i, int j, int k, int l) { typename SymmGroup::charge I(0), J(0), K(0), L(0), tmp(0); - typename SymmGroup::charge charges[] = {I,J,K,L}; - std::size_t site[] = {i, j, k, l}; - for (int ii=0; ii<4; ++ii) { + std::vector< typename SymmGroup::charge > charges = {I, J, K, L}; + std::vector< int > site = {i, j, k, l}; + for (int ii = 0; ii < 4; ++ii) { charges[ii][1] = lat.get_prop("type", site[ii]); charges[ii][0] = 1; if (ii%2 == 0) { @@ -106,9 +108,13 @@ class rel_qc_model : public model_impl else if (ii%2 == 1) { tmp = SymmGroup::fuse(tmp, -charges[ii]);} } - - if (tmp[0] == 0 && tmp[1] != parms["type"]) {return false;} - else {return true;} + // + if (tmp[0] == 0 && tmp[1] != parms["type"]) { + return false; + } + else { + return true; + } } typename SymmGroup::charge total_quantum_numbers(BaseParameters & parms_) const diff --git a/dmrg/framework/dmrg/models/generate_mpo/tagged_mpo_maker_optim.hpp b/dmrg/framework/dmrg/models/generate_mpo/tagged_mpo_maker_optim.hpp index 19b5fa8d4..0999f7e4e 100644 --- a/dmrg/framework/dmrg/models/generate_mpo/tagged_mpo_maker_optim.hpp +++ b/dmrg/framework/dmrg/models/generate_mpo/tagged_mpo_maker_optim.hpp @@ -441,7 +441,7 @@ namespace generate_mpo mpo_spin = couple(mpo_spin, (tag_handler->get_op(term.operator_tag(i))).spin()); prempo_key_type k2; k2.pos_op.push_back(to_pair(term[i+1])); // k2: future operators - k1 = insert_operator(term.position(i), make_pair(k1, k2), prempo_value_type(term.operator_tag(i), term.coeff), detach); + k1 = insert_operator(term.position(i), make_pair(k1, k2), prempo_value_type(term.operator_tag(i), maquis::real(term.coeff)), detach); if (tag_handler->is_fermionic(term.operator_tag(i))) nferm -= 1; @@ -493,7 +493,7 @@ namespace generate_mpo mpo_spin = couple(mpo_spin, (tag_handler->get_op(term.operator_tag(i))).spin()); prempo_key_type k2; k2.pos_op.push_back(to_pair(term[3])); - k1 = insert_operator(term.position(i), make_pair(k1, k2), prempo_value_type(term.operator_tag(i), term.coeff), detach); + k1 = insert_operator(term.position(i), make_pair(k1, k2), prempo_value_type(term.operator_tag(i), maquis::real(term.coeff)), detach); if (tag_handler->is_fermionic(term.operator_tag(i))) nferm -= 1; diff --git a/dmrg/framework/dmrg/models/lattice.h b/dmrg/framework/dmrg/models/lattice.h index 65a71503d..8927e675e 100644 --- a/dmrg/framework/dmrg/models/lattice.h +++ b/dmrg/framework/dmrg/models/lattice.h @@ -139,4 +139,5 @@ class Lattice { impl_ptr impl_; }; + #endif diff --git a/dmrg/framework/dmrg/models/measurements/tagged_nrankrdm.h b/dmrg/framework/dmrg/models/measurements/tagged_nrankrdm.h index 5187cd98c..3ff78798c 100644 --- a/dmrg/framework/dmrg/models/measurements/tagged_nrankrdm.h +++ b/dmrg/framework/dmrg/models/measurements/tagged_nrankrdm.h @@ -609,7 +609,7 @@ namespace measurements { MPS const & bra_mps = (bra_neq_ket) ? dummy_bra_mps : ket_mps; #ifdef MAQUIS_OPENMP - #pragma omp parallel for + #pragma omp parallel for schedule(dynamic) #endif for (std::size_t i = 0; i < positions_first.size(); ++i) { pos_t p1 = positions_first[i]; diff --git a/dmrg/framework/dmrg/models/prebo/nu1/model.hpp b/dmrg/framework/dmrg/models/prebo/nu1/model.hpp index 74f8e2399..e58917c12 100644 --- a/dmrg/framework/dmrg/models/prebo/nu1/model.hpp +++ b/dmrg/framework/dmrg/models/prebo/nu1/model.hpp @@ -2,8 +2,8 @@ * * ALPS MPS DMRG Project * - * Copyright (C) 2014 Institute for Theoretical Physics, ETH Zurich - * 2017- by Alberto Baiardi + * Copyright (C) 2020 Institute for Theoretical Physics, ETH Zurich + * 2020- by Alberto Baiardi * 2020- by Robin Feldmann * * This software is part of the ALPS Applications, published under the ALPS @@ -69,6 +69,7 @@ class PreBO : public model_impl> { using measurements_type = typename base::measurements_type; using pos_t = typename Lattice::pos_t; using part_type = typename Lattice::part_type; + using ValueType = typename Matrix::value_type; private: /** Verbosity flag */ @@ -117,7 +118,7 @@ class PreBO : public model_impl> { */ void create_terms() { auto start = std::chrono::high_resolution_clock::now(); - auto integrals = prebo::detail::parse_integrals(parms, lat); + auto integrals = prebo::detail::parse_integrals(parms, lat); this->terms_ = ptr_term_generator->generate_Hamiltonian(integrals); auto stop = std::chrono::high_resolution_clock::now(); auto duration = std::chrono::duration_cast(stop - start); diff --git a/dmrg/framework/dmrg/models/prebo/prebo_TagGenerator.hpp b/dmrg/framework/dmrg/models/prebo/prebo_TagGenerator.hpp index 286bef0b8..01ba5b58c 100644 --- a/dmrg/framework/dmrg/models/prebo/prebo_TagGenerator.hpp +++ b/dmrg/framework/dmrg/models/prebo/prebo_TagGenerator.hpp @@ -2,9 +2,9 @@ * * ALPS MPS DMRG Project * - * Copyright (C) 2014 Institute for Theoretical Physics, ETH Zurich - * 2017 by Alberto Baiardi - * 2020 by Robin Feldmann + * Copyright (C) 2020 Institute for Theoretical Physics, ETH Zurich + * 2020- by Alberto Baiardi + * 2020- by Robin Feldmann * * This software is part of the ALPS Applications, published under the ALPS * Application License; you can use, redistribute it and/or modify it under @@ -87,17 +87,14 @@ namespace prebo { TagGenerator() = default; TagGenerator(std::shared_ptr &lat_, std::shared_ptr> &tag_handler_) - : lat(lat_), tag_handler(tag_handler_) { - + : lat(lat_), tag_handler(tag_handler_) + { num_particle_types = lat->template get_prop("num_particle_types"); vec_particles = lat->template get_prop>("vec_particles"); isFermion = lat->template get_prop>("isFermion"); vec_orbitals = lat->template get_prop>("vec_orbitals"); vec_fer_bos = lat->template get_prop>("vec_fer_bos"); - - // // Collect all fermions and all bosons in two different vectors. - // int num_fer_types = 0; // Number of different fermions std::vector fer_vec; int num_bos_types = 0; // Number of different bosons @@ -111,17 +108,13 @@ namespace prebo { bos_vec.push_back(vec_particles[it]); } } - if (num_fer_types == 0 && num_bos_types == 0) throw std::runtime_error("No Fermions or Bosons?"); - + if (num_fer_types == 0 && num_bos_types == 0) + throw std::runtime_error("No Fermions or Bosons?"); std::vector > fer_excited_states_array; std::vector > bos_excited_states_array; charge_type empty_state(0); - - // - // filling the excited states arrays... - // + // Filling the excited states arrays... construct_excited_states(fer_excited_states_array, bos_excited_states_array); - // All operators are collected in vectors // identity, creation operator (up, down), annihilation operator (up,down), occupation number operator. // Fermionic operators @@ -136,17 +129,10 @@ namespace prebo { bos_create_tag.reserve(num_bos_types); bos_dest_tag.reserve(num_bos_types); bos_count_tag.reserve(num_bos_types); - - // - // filling the tags... - // + // Filling the tags... create_tags(fer_excited_states_array, bos_excited_states_array, num_fer_types, num_bos_types); - - // // Next step is loading the types of physical indices. - // phys_indexes.reserve(num_particle_types); - if (num_fer_types > 0) { for (std::size_t it = 0; it < num_fer_types; it++) { Index phys; diff --git a/dmrg/framework/dmrg/models/prebo/prebo_TermGenerator.hpp b/dmrg/framework/dmrg/models/prebo/prebo_TermGenerator.hpp index 4c9b08926..db31d71f1 100644 --- a/dmrg/framework/dmrg/models/prebo/prebo_TermGenerator.hpp +++ b/dmrg/framework/dmrg/models/prebo/prebo_TermGenerator.hpp @@ -62,6 +62,7 @@ namespace prebo { using positions_type = typename std::vector; using value_type = typename Matrix::value_type; using symbolic_terms = typename std::vector>>; + using ValueType = typename Matrix::value_type; private: // Class members @@ -122,7 +123,7 @@ namespace prebo { * @return */ auto generate_Hamiltonian(const std::pair>, - std::vector>& integrals) -> terms_type + const std::vector>& integrals) -> terms_type { terms_type hamiltonian; diff --git a/dmrg/framework/dmrg/mp_tensors/boundary.h b/dmrg/framework/dmrg/mp_tensors/boundary.h index cb361bb57..be8842ccb 100644 --- a/dmrg/framework/dmrg/mp_tensors/boundary.h +++ b/dmrg/framework/dmrg/mp_tensors/boundary.h @@ -102,6 +102,58 @@ class Boundary : public storage::disk::serializable void save(Archive & ar) const { ar["data"] << data_; } + + Boundary const & operator+=(Boundary const & rhs) + { + assert (this->data_.size() == rhs.data_.size()) ; + for(size_t i = 0; i < this->data_.size(); ++i) + this->data_[i] += rhs.data_[i] ; + return *this; + }; + // + Boundary const & operator-=(Boundary const & rhs) + { + assert (this->data_.size() == rhs.data_.size()) ; + for(size_t i = 0; i < this->data_.size(); ++i) + this->data_[i] -= rhs.data_[i] ; + return *this; + }; + // + Boundary const & operator*=(scalar_type const & rhs) + { + for(size_t i = 0; i < this->data_.size(); ++i) + this->data_[i] *= rhs ; + return *this; + }; + // + Boundary const & operator/=(scalar_type const & rhs) + { + for(size_t i = 0; i < this->data_.size(); ++i) + this->data_[i] /= rhs ; + return *this; + }; + // + friend Boundary operator*(scalar_type const & rhs, const Boundary& b_rhs) + { + Boundary res(b_rhs); + for(size_t i = 0; i < res.data_.size(); ++i) + res.data_[i] *= rhs ; + return res; + }; + // + friend Boundary operator/(scalar_type const & rhs, const Boundary& b_rhs) + { + Boundary res(b_rhs); + for(size_t i = 0; i < res.data_.size(); ++i) + res.data_[i] /= rhs ; + return res; + }; + + void print() const + { + for (auto x : data_) + std::cout << x << std::endl; + }; block_matrix & operator[](std::size_t k) { return data_[k]; } block_matrix const & operator[](std::size_t k) const { return data_[k]; } diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/abelian/engine.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/abelian/engine.hpp index f105159b5..38cdfd714 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/abelian/engine.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/abelian/engine.hpp @@ -151,10 +151,11 @@ namespace contraction { MPOTensor const & mpo, Boundary const & left, Boundary const & right, - double alpha, double cutoff, std::size_t Mmax) + double alpha, double cutoff, std::size_t Mmax, + bool perturbDM) { return common::predict_new_state_l2r_sweep - (mps, mpo, left, right, alpha, cutoff, Mmax); + (mps, mpo, left, right, alpha, cutoff, Mmax, perturbDM); } static MPSTensor @@ -170,10 +171,11 @@ namespace contraction { MPOTensor const & mpo, Boundary const & left, Boundary const & right, - double alpha, double cutoff, std::size_t Mmax) + double alpha, double cutoff, std::size_t Mmax, + bool perturbDM) { return common::predict_new_state_r2l_sweep - (mps, mpo, left, right, alpha, cutoff, Mmax); + (mps, mpo, left, right, alpha, cutoff, Mmax, perturbDM); } static MPSTensor @@ -184,6 +186,20 @@ namespace contraction { return common::predict_lanczos_r2l_sweep(B, psi, A); } + static Boundary + generate_left_mpo_basis(MPSTensor const & bra_tensor, MPSTensor const & ket_tensor, + Boundary const & left, MPOTensor const & mpo) + { + return common::generate_left_mpo_basis(bra_tensor, ket_tensor, left, mpo); + } + + static Boundary + generate_right_mpo_basis(MPSTensor const & bra_tensor, MPSTensor const & ket_tensor, + Boundary const & right, MPOTensor const & mpo) + { + return common::generate_right_mpo_basis(bra_tensor, ket_tensor, right, mpo); + } + // non-generic method static MPSTensor @@ -192,10 +208,20 @@ namespace contraction { Boundary const & right, MPOTensor const & mpo); + // Zero-site Hamiltonian + static block_matrix + zerosite_hamil2(block_matrix ket_tensor, Boundary const & left, + Boundary const & right, MPOTensor const & mpo_left, MPOTensor const & mpo_right); + + static block_matrix + zerosite_hamil2_kernel(block_matrix ket_tensor, Boundary const & left, + Boundary const & right, MPOTensor const & mpo_left, MPOTensor const & mpo_right); + }; } // namespace contraction #include "dmrg/mp_tensors/contractions/abelian/site_hamil.hpp" +#include "dmrg/mp_tensors/contractions/abelian/zero_site_hamil.hpp" #endif diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/abelian/site_hamil.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/abelian/site_hamil.hpp index cd095f713..96861254e 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/abelian/site_hamil.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/abelian/site_hamil.hpp @@ -83,7 +83,7 @@ namespace contraction { abelian::lbtm_kernel(b2, contr_grid, left, t, mpo, ket_tensor.data().basis(), ket_tensor.data().left_basis(), right_i, out_left_i, in_right_pb, out_left_pb); block_matrix tmp; if (mpo.herm_info.right_skip(b2)) - gemm(contr_grid(0,0), transpose(right[mpo.herm_info.right_conj(b2)]), tmp); + gemm(contr_grid(0,0), adjoint(right[mpo.herm_info.right_conj(b2)]), tmp); else gemm(contr_grid(0,0), right[b2], tmp); contr_grid(0,0).clear(); diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/abelian/zero_site_hamil.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/abelian/zero_site_hamil.hpp new file mode 100644 index 000000000..786c20f14 --- /dev/null +++ b/dmrg/framework/dmrg/mp_tensors/contractions/abelian/zero_site_hamil.hpp @@ -0,0 +1,72 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Laboratory for Physical Chemistry, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef ABELIAN_ZERO_SITE_HAMIL +#define ABELIAN_ZERO_SITE_HAMIL + +#include "dmrg/block_matrix/block_matrix.h" +#include "dmrg/mp_tensors/mpstensor.h" + +namespace contraction { + +template +block_matrix +Engine::zerosite_hamil2(block_matrix ket_tensor, + Boundary const & left, Boundary const & right, + MPOTensor const & mpo_left, MPOTensor const & mpo_right) +{ + return zerosite_hamil2_kernel(ket_tensor, left, right, mpo_left, mpo_right); +} + +template +block_matrix +Engine::zerosite_hamil2_kernel(block_matrix ket_bm, + Boundary const & left, Boundary const & right, + MPOTensor const & mpo_left, MPOTensor const & mpo_right) +{ + using charge = typename SymmGroup::charge; + using index_type = typename MPOTensor::index_type; + BoundaryMPSProduct t(ket_bm, left, mpo_right, false); + block_matrix ret; + index_type loop_max = mpo_right.row_dim(); + omp_for(index_type b2, parallel::range(0,loop_max), { + block_matrix tmp, local; + if (mpo_right.herm_info.left_skip(b2)) { + gemm(t.at(b2, local), adjoint(right[mpo_left.herm_info.right_conj(b2)]), tmp); + } + else { + gemm(t.at(b2, local), right[b2], tmp); + } + parallel_critical + for (std::size_t k = 0; k < tmp.n_blocks(); ++k) + ret.match_and_add_block(tmp[k], tmp.basis().left_charge(k), tmp.basis().right_charge(k)); + }); + return ret; +} + +} // namespace contraction + +#endif diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/common/boundary_times_mps.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/common/boundary_times_mps.hpp index 18b49fe48..4c488436b 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/common/boundary_times_mps.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/common/boundary_times_mps.hpp @@ -95,43 +95,80 @@ namespace contraction { class BoundaryMPSProduct { public: + // Types definition typedef typename maquis::traits::scalar_type::type scalar_type; typedef typename Matrix::value_type value_type; typedef typename MPOTensor::index_type index_type; - + /** @brief Constructor from a mpstensor */ BoundaryMPSProduct(MPSTensor const & mps_, Boundary const & left_, MPOTensor const & mpo_, - Index const & ref_left_basis_) - : mps(mps_), left(left_), mpo(mpo_), data_(left_.aux_dim()), ref_left_basis(ref_left_basis_) + Index const & ref_left_basis_, + bool correctConjugate_=true) + : left(left_), mpo(mpo_), data_(left_.aux_dim()), ref_left_basis(ref_left_basis_), + correctConjugate(correctConjugate_) { - parallel::scheduler_permute scheduler(mpo.placement_l, parallel::groups_granularity); + mps_.make_right_paired(); + bm = mps_.data(); + populateData(); + } - int loop_max = left.aux_dim(); - mps.make_right_paired(); - omp_for(int b1, parallel::range(0,loop_max), { + /** @brief Constructor from a block_matrix */ + BoundaryMPSProduct(block_matrix const & bm_, + Boundary const & left_, + MPOTensor const & mpo_, + Index const & ref_left_basis_, + bool correctConjugate_=true) + : bm(bm_), left(left_), mpo(mpo_), data_(left_.aux_dim()), ref_left_basis(ref_left_basis_), + correctConjugate(correctConjugate_) + { + populateData(); + } + /** @brief Constructor not taking a specific left basis */ + BoundaryMPSProduct(MPSTensor const & mps_, + Boundary const & left_, + MPOTensor const & mpo_, + bool correctConjugate_=true) + : BoundaryMPSProduct(mps_, left_, mpo_, mps_.row_dim(), correctConjugate_) + {} + + /** @brief Constructor not taking a specific left basis */ + BoundaryMPSProduct(block_matrix const & bm_, + Boundary const & left_, + MPOTensor const & mpo_, + bool correctConjugate_=true) + : BoundaryMPSProduct(bm_, left_, mpo_, bm_.left_basis(), correctConjugate_) + {} + + /** @brief Populates the vector of block_matrix objects */ + void populateData() { + int loop_max = left.aux_dim(); + parallel::scheduler_permute scheduler(mpo.placement_l, parallel::groups_granularity); + // Loop over the elements + omp_for(int b1, parallel::range(0,loop_max), { // exploit single use sparsity (delay multiplication until the object is used) - if (mpo.num_row_non_zeros(b1) == 1) continue; + if (mpo.num_row_non_zeros(b1) == 1) + continue; // exploit hermiticity if available - if (mpo.herm_info.left_skip(b1)) - { + if (mpo.herm_info.left_skip(b1)) { parallel::guard group(scheduler(b1), parallel::groups_granularity); - std::vector scales = conjugate_phases(left[mpo.herm_info.left_conj(b1)], mpo, b1, true, false); - typename Gemm::gemm_trim_left()(conjugate(left[mpo.herm_info.left_conj(b1)]), mps.data(), data_[b1], ref_left_basis, scales); + if (correctConjugate) { + std::vector scales = conjugate_phases(left[mpo.herm_info.left_conj(b1)], mpo, b1, true, false); + typename Gemm::gemm_trim_left()(conjugate(left[mpo.herm_info.left_conj(b1)]), bm, data_[b1], ref_left_basis, scales); + } + else { + typename Gemm::gemm_trim_left()(conjugate(left[mpo.herm_info.left_conj(b1)]), bm, data_[b1], ref_left_basis); + } } else { - parallel::guard group(scheduler(b1), parallel::groups_granularity); - typename Gemm::gemm_trim_left()(transpose(left[b1]), mps.data(), data_[b1], ref_left_basis); + typename Gemm::gemm_trim_left()(transpose(left[b1]), bm, data_[b1], ref_left_basis); } }); } - BoundaryMPSProduct(MPSTensor const & mps_, - Boundary const & left_, - MPOTensor const & mpo_) : BoundaryMPSProduct(mps_, left_, mpo_, mps_.row_dim()) {} - + /** @brief Gets the overall dimension of the BoundaryTimesMPS object */ std::size_t aux_dim() const { return data_.size(); } @@ -149,36 +186,33 @@ namespace contraction { block_matrix & operator[](std::size_t k) { return data_[k]; } block_matrix const & operator[](std::size_t k) const { return data_[k]; } - block_matrix const & at(std::size_t k, block_matrix & storage) const - { - if (mpo.num_row_non_zeros(k) == 1) - { - if (mpo.herm_info.left_skip(k)) - { - //parallel::guard group(scheduler(b1), parallel::groups_granularity); - //typename Gemm::gemm_trim_left()(left[mpo.herm_info.left_conj(k)], mps.data(), storage); - std::vector scales = conjugate_phases(left[mpo.herm_info.left_conj(k)], mpo, k, true, false); - typename Gemm::gemm_trim_left()(conjugate(left[mpo.herm_info.left_conj(k)]), mps.data(), storage, ref_left_basis, scales); + block_matrix const & at(std::size_t k, block_matrix & storage) const { + if (mpo.num_row_non_zeros(k) == 1) { + if (mpo.herm_info.left_skip(k)) { + if (correctConjugate) { + std::vector scales = conjugate_phases(left[mpo.herm_info.left_conj(k)], mpo, k, true, false); + typename Gemm::gemm_trim_left()(conjugate(left[mpo.herm_info.left_conj(k)]), bm, storage, ref_left_basis, scales); + } + else { + typename Gemm::gemm_trim_left()(conjugate(left[mpo.herm_info.left_conj(k)]), bm, storage, ref_left_basis); + } } else { - //parallel::guard group(scheduler(b1), parallel::groups_granularity); - typename Gemm::gemm_trim_left()(transpose(left[k]), mps.data(), storage, ref_left_basis); + typename Gemm::gemm_trim_left()(transpose(left[k]), bm, storage, ref_left_basis); } - return storage; } - else return data_[k]; } private: std::vector > data_; - - MPSTensor const & mps; + block_matrix bm; Boundary const & left; MPOTensor const & mpo; - Index const & ref_left_basis; + Index ref_left_basis; + bool correctConjugate; }; @@ -191,46 +225,74 @@ namespace contraction { class MPSBoundaryProduct { public: + // Types definition typedef typename maquis::traits::scalar_type::type scalar_type; typedef typename Matrix::value_type value_type; typedef typename MPOTensor::index_type index_type; + /** @brief Constructor from a MPS tensor */ + MPSBoundaryProduct(MPSTensor const & mps_, Boundary const & right_, + MPOTensor const & mpo_, Index const& ref_right_basis_, + bool correctConjugate_=true) + : right(right_), mpo(mpo_), data_(right_.aux_dim()), pop_(right_.aux_dim(), 0), + ref_right_basis(ref_right_basis_), correctConjugate(correctConjugate_) + { + mps_.make_left_paired(); + bm = mps_.data(); + populateData(); + } - MPSBoundaryProduct(MPSTensor const & mps_, - Boundary const & right_, - MPOTensor const & mpo_, - Index const& ref_right_basis_) : mps(mps_), right(right_), mpo(mpo_), data_(right_.aux_dim()) - , pop_(right_.aux_dim(), 0), ref_right_basis(ref_right_basis_) + /** @brief Constructor from a block_matrix */ + MPSBoundaryProduct(block_matrix const & bm_, Boundary const & right_, + MPOTensor const & mpo_, Index const& ref_right_basis_, + bool correctConjugate_=true) + : right(right_), mpo(mpo_), data_(right_.aux_dim()), pop_(right_.aux_dim(), 0), + ref_right_basis(ref_right_basis_), bm(bm_), correctConjugate(correctConjugate_) { - parallel::scheduler_permute scheduler(mpo.placement_r, parallel::groups_granularity); + populateData(); + } + /** @brief Constructor without index */ + MPSBoundaryProduct(MPSTensor const & mps_, Boundary const & right_, + MPOTensor const & mpo_, bool correctConjugate_=true) + : MPSBoundaryProduct(mps_, right_, mpo_, mps_.col_dim(), correctConjugate_) + {} + + /** @brief Constructor without index */ + MPSBoundaryProduct(block_matrix const & bm_, Boundary const & right_, + MPOTensor const & mpo_, bool correctConjugate_=true) + : MPSBoundaryProduct(bm_, right_, mpo_, bm_.right_basis(), correctConjugate_) + {} + + /** @brief Core method called by the constructor */ + void populateData() { + // Preliminary operations int loop_max = right.aux_dim(); - mps.make_left_paired(); + parallel::scheduler_permute scheduler(mpo.placement_r, parallel::groups_granularity); omp_for(int b2, parallel::range(0,loop_max), { - // exploit single use sparsity (delay multiplication until the object is used) - if (mpo.num_col_non_zeros(b2) == 1) continue; - + if (mpo.num_col_non_zeros(b2) == 1) + continue; // exploit hermiticity if available if (mpo.herm_info.right_skip(b2)) { parallel::guard group(scheduler(b2), parallel::groups_granularity); - block_matrix::type, SymmGroup> trv = transpose(right[mpo.herm_info.right_conj(b2)]); - std::vector scales = conjugate_phases(trv, mpo, b2, false, true); - - typename Gemm::gemm_trim_right()(mps.data(), trv, data_[b2], ref_right_basis, scales); + block_matrix::type, SymmGroup> trv = adjoint(right[mpo.herm_info.right_conj(b2)]); + if (correctConjugate) { + std::vector scales = conjugate_phases(trv, mpo, b2, false, true); + typename Gemm::gemm_trim_right()(bm, trv, data_[b2], ref_right_basis, scales); + } + else { + typename Gemm::gemm_trim_right()(bm, trv, data_[b2], ref_right_basis); + } } else { parallel::guard group(scheduler(b2), parallel::groups_granularity); - typename Gemm::gemm_trim_right()(mps.data(), right[b2], data_[b2], ref_right_basis); + typename Gemm::gemm_trim_right()(bm, right[b2], data_[b2], ref_right_basis); } }); } - MPSBoundaryProduct(MPSTensor const & mps_, - Boundary const & right_, - MPOTensor const & mpo_) : MPSBoundaryProduct(mps_, right_, mpo_, mps_.col_dim()) {} - std::size_t aux_dim() const { return data_.size(); } @@ -255,14 +317,14 @@ namespace contraction { if (mpo.herm_info.right_skip(k)) { //parallel::guard group(scheduler(b2), parallel::groups_granularity); - block_matrix::type, SymmGroup> trv = transpose(right[mpo.herm_info.right_conj(k)]); + block_matrix::type, SymmGroup> trv = adjoint(right[mpo.herm_info.right_conj(k)]); //return typename Gemm::gemm_trim_right()(mps.data(), trv); - return SU2::gemm_trim_right_pretend(mps.data(), trv); + return SU2::gemm_trim_right_pretend(bm, trv); } else { //parallel::guard group(scheduler(b2), parallel::groups_granularity); //return typename Gemm::gemm_trim_right_pretend()(mps.data(), right[k]); - return SU2::gemm_trim_right_pretend(mps.data(), right[k]); + return SU2::gemm_trim_right_pretend(bm, right[k]); } } else @@ -280,15 +342,20 @@ namespace contraction { { //parallel::guard group(scheduler(b2), parallel::groups_granularity); //typename Gemm::gemm_trim_right()(mps.data(), transpose(right[mpo.herm_info.right_conj(k)]), storage); - block_matrix::type, SymmGroup> trv = transpose(right[mpo.herm_info.right_conj(k)]); - std::vector scales = conjugate_phases(trv, mpo, k, false, true); - //typename Gemm::gemm_trim_right()(mps.data(), trv, storage, scales); - typename Gemm::gemm_trim_right()(mps.data(), trv, data_[k], ref_right_basis, scales); + block_matrix::type, SymmGroup> trv = adjoint(right[mpo.herm_info.right_conj(k)]); + if (correctConjugate) { + std::vector scales = conjugate_phases(trv, mpo, k, false, true); + //typename Gemm::gemm_trim_right()(mps.data(), trv, storage, scales); + typename Gemm::gemm_trim_right()(bm, trv, data_[k], ref_right_basis, scales); + } + else { + typename Gemm::gemm_trim_right()(bm, trv, data_[k], ref_right_basis); + } } else { //parallel::guard group(scheduler(b2), parallel::groups_granularity); //typename Gemm::gemm_trim_right()(mps.data(), right[k], storage); - typename Gemm::gemm_trim_right()(mps.data(), right[k], data_[k], ref_right_basis); + typename Gemm::gemm_trim_right()(bm, right[k], data_[k], ref_right_basis); } pop_[k] = 1; } @@ -301,29 +368,29 @@ namespace contraction { void free(index_type b1) const { - for (index_type b2 = 0; b2 < mpo.col_dim(); ++b2) - if (mpo.num_col_non_zeros(b2) == 1) + for (index_type b2 = 0; b2 < mpo.col_dim(); ++b2) { + if (mpo.num_col_non_zeros(b2) == 1) { if (mpo.has(b1,b2)) { data_[b2].clear(); break; } + } + } } private: mutable std::vector > data_; mutable std::vector pop_; - - MPSTensor const & mps; + bool correctConjugate; + block_matrix bm; Boundary const & right; MPOTensor const & mpo; - Index const & ref_right_basis; + Index ref_right_basis; }; template - void MPSBoundaryProduct::multiply(index_type b2) - { - } + void MPSBoundaryProduct::multiply(index_type b2) {} } // namespace common } // namespace contraction diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/common/move_boundary.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/common/move_boundary.hpp index d32b7a9f9..53397f70a 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/common/move_boundary.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/common/move_boundary.hpp @@ -32,256 +32,309 @@ #include "dmrg/mp_tensors/mpotensor.h" #include "dmrg/mp_tensors/reshapes.h" #include "dmrg/block_matrix/indexing.h" +#include "dmrg/mp_tensors/contractions/detail/memsave.hpp" namespace contraction { - namespace common { - - // output/input: left_i for bra_tensor, right_i for ket_tensor - template - static block_matrix - overlap_left_step(MPSTensor const & bra_tensor, - MPSTensor const & ket_tensor, - block_matrix const & left, - block_matrix * localop = NULL) +namespace common { + +// output/input: left_i for bra_tensor, right_i for ket_tensor +template +static block_matrix +overlap_left_step(MPSTensor const & bra_tensor, + MPSTensor const & ket_tensor, + block_matrix const & left, + block_matrix * localop = NULL) +{ + if (localop != NULL) + throw std::runtime_error("Not implemented!"); + assert(ket_tensor.phys_i == bra_tensor.phys_i); + bra_tensor.make_left_paired(); + block_matrix t1; + block_matrix t3; + ket_tensor.make_right_paired(); + typename Gemm::gemm()(left, ket_tensor.data(), t1); + reshape_right_to_left_new(ket_tensor.site_dim(), bra_tensor.row_dim(), ket_tensor.col_dim(), + t1, t3); + typename Gemm::gemm()(transpose(conjugate(bra_tensor.data())), t3, t1); + return t1; + // original: + // t3 = transpose(t3); + // gemm(t3, t2, t1); + // return transpose(t1); +} + +template +static block_matrix +overlap_right_step(MPSTensor const & bra_tensor, + MPSTensor const & ket_tensor, + block_matrix const & right, + block_matrix * localop = NULL) +{ + if (localop != NULL) + throw std::runtime_error("Not implemented!"); + assert(ket_tensor.phys_i == bra_tensor.phys_i); + bra_tensor.make_right_paired(); + ket_tensor.make_left_paired(); + block_matrix t1; + block_matrix t3; + typename Gemm::gemm()(ket_tensor.data(), transpose(right), t1); + reshape_left_to_right_new(ket_tensor.site_dim(), ket_tensor.row_dim(), bra_tensor.col_dim(), t1, t3); + typename Gemm::gemm()(conjugate(bra_tensor.data()), transpose(t3), t1); + return t1; +} + +// note: this function changes the internal structure of Boundary, +// each block is transposed +template +static Boundary +left_boundary_tensor_mpo(MPSTensor mps, + Boundary const & left, + MPOTensor const & mpo, + Index const * in_low = NULL) +{ + typedef typename SymmGroup::charge charge; + typedef typename MPOTensor::index_type index_type; + if (in_low == NULL) + in_low = &mps.row_dim(); + //std::vector > t + BoundaryMPSProduct t(mps, left, mpo); + Index physical_i = mps.site_dim(), left_i = *in_low, right_i = mps.col_dim(), + out_left_i = physical_i * left_i; + ProductBasis out_left_pb(physical_i, left_i); + ProductBasis in_right_pb(physical_i, right_i, + boost::lambda::bind(static_cast(SymmGroup::fuse), + -boost::lambda::_1, boost::lambda::_2)); + index_type loop_max = mpo.col_dim(); + Boundary ret; + ret.resize(mpo.col_dim()); + omp_for(index_type b2, parallel::range(0,loop_max), { + ContractionGrid contr_grid(mpo, 0, 0); + Kernel()(b2, contr_grid, left, t, mpo, mps.data().basis(), mps.data().left_basis(), right_i, out_left_i, in_right_pb, out_left_pb); + swap(ret[b2], contr_grid(0,0)); + }); + return ret; +} + +template +static Boundary +right_boundary_tensor_mpo(MPSTensor mps, + Boundary const & right, + MPOTensor const & mpo, + Index const * in_low = NULL) +{ + typedef typename SymmGroup::charge charge; + typedef typename MPOTensor::index_type index_type; + parallel::scheduler_permute scheduler(mpo.placement_l, parallel::groups_granularity); + if (in_low == NULL) + in_low = &mps.col_dim(); + contraction::common::MPSBoundaryProduct t(mps, right, mpo); + Index physical_i = mps.site_dim(), left_i = mps.row_dim(), right_i = *in_low, + out_right_i = adjoin(physical_i) * right_i; + ProductBasis in_left_pb(physical_i, left_i); + ProductBasis out_right_pb(physical_i, right_i, + boost::lambda::bind(static_cast(SymmGroup::fuse), + -boost::lambda::_1, boost::lambda::_2)); + Boundary ret; + ret.resize(mpo.row_dim()); + index_type loop_max = mpo.row_dim(); + omp_for(index_type b1, parallel::range(0,loop_max), { + parallel::guard group(scheduler(b1), parallel::groups_granularity); + Kernel()(b1, ret[b1], right, t, mpo, mps.data().basis(), mps.data().right_basis(), left_i, out_right_i, in_left_pb, out_right_pb); + }); + return ret; +} + +template +static Boundary +overlap_mpo_left_step(MPSTensor const & bra_tensor, + MPSTensor const & ket_tensor, + Boundary const & left, + MPOTensor const & mpo) +{ + typedef typename SymmGroup::charge charge; + typedef typename MPOTensor::index_type index_type; + Index const & left_i = bra_tensor.row_dim(); + MPSTensor ket_cpy = ket_tensor; + BoundaryMPSProduct t(ket_cpy, left, mpo, left_i); + Index right_i = ket_tensor.col_dim(); + Index bra_right_i = bra_tensor.col_dim(); + Index out_left_i = bra_tensor.site_dim() * left_i; + common_subset(out_left_i, bra_right_i); + ProductBasis out_left_pb(ket_tensor.site_dim(), left_i); + ProductBasis in_right_pb(ket_tensor.site_dim(), right_i, + boost::lambda::bind(static_cast(SymmGroup::fuse), + -boost::lambda::_1, boost::lambda::_2)); + index_type loop_max = mpo.col_dim(); + bra_tensor.make_left_paired(); + block_matrix bra_conj = conjugate(bra_tensor.data()); + DualIndex ket_basis_transpose = ket_cpy.data().basis(); + for (std::size_t i = 0; i < ket_basis_transpose.size(); ++i) { + std::swap(ket_basis_transpose[i].lc, ket_basis_transpose[i].rc); + std::swap(ket_basis_transpose[i].ls, ket_basis_transpose[i].rs); + } + Boundary ret; + ret.resize(loop_max); + omp_for(index_type b2, parallel::range(0,loop_max), { + if (mpo.herm_info.right_skip(b2)) continue; + ContractionGrid contr_grid(mpo, 0, 0); + block_matrix tmp; + Kernel()(b2, contr_grid, left, t, mpo, ket_basis_transpose, left_i, right_i, out_left_i, in_right_pb, out_left_pb); + typename Gemm::gemm()(transpose(contr_grid(0,0)), bra_conj, ret[b2], MPOTensor_detail::get_spin(mpo, b2, false)); + }); + /* + // hermiticity check + omp_for(index_type b2, parallel::range(0,loop_max), { + if (mpo.herm_info.right_skip(b2)) + { + block_matrix conj0 = ret[mpo.herm_info.right_conj(b2)]; + recover_conjugate(conj0, mpo, b2, false, false); + block_matrix conj = transpose(conj0); + block_matrix diff = conj-ret[b2]; + if ( diff.norm() > 1e-6) { - if (localop != NULL) - throw std::runtime_error("Not implemented!"); - - assert(ket_tensor.phys_i == bra_tensor.phys_i); - - bra_tensor.make_left_paired(); - - block_matrix t1; - block_matrix t3; - ket_tensor.make_right_paired(); - typename Gemm::gemm()(left, ket_tensor.data(), t1); - - reshape_right_to_left_new(ket_tensor.site_dim(), bra_tensor.row_dim(), ket_tensor.col_dim(), - t1, t3); - typename Gemm::gemm()(transpose(conjugate(bra_tensor.data())), t3, t1); - return t1; - - // original: - // t3 = transpose(t3); - // gemm(t3, t2, t1); - // return transpose(t1); + maquis::cout << "diff: " << diff << std::endl; + maquis::cout << "should:\n" << ret[b2]; + maquis::cout << "is:\n" << conj; + exit(1); } - - template - static block_matrix - overlap_right_step(MPSTensor const & bra_tensor, - MPSTensor const & ket_tensor, - block_matrix const & right, - block_matrix * localop = NULL) - { - if (localop != NULL) - throw std::runtime_error("Not implemented!"); - - assert(ket_tensor.phys_i == bra_tensor.phys_i); - - bra_tensor.make_right_paired(); - ket_tensor.make_left_paired(); - - block_matrix t1; - block_matrix t3; - typename Gemm::gemm()(ket_tensor.data(), transpose(right), t1); - reshape_left_to_right_new(ket_tensor.site_dim(), ket_tensor.row_dim(), bra_tensor.col_dim(), t1, t3); - typename Gemm::gemm()(conjugate(bra_tensor.data()), transpose(t3), t1); - - return t1; - } - - // note: this function changes the internal structure of Boundary, - // each block is transposed - template - static Boundary - left_boundary_tensor_mpo(MPSTensor mps, - Boundary const & left, - MPOTensor const & mpo, - Index const * in_low = NULL) - { - typedef typename SymmGroup::charge charge; - typedef typename MPOTensor::index_type index_type; - - if (in_low == NULL) - in_low = &mps.row_dim(); - - //std::vector > t - BoundaryMPSProduct t(mps, left, mpo); - - Index physical_i = mps.site_dim(), left_i = *in_low, right_i = mps.col_dim(), - out_left_i = physical_i * left_i; - ProductBasis out_left_pb(physical_i, left_i); - ProductBasis in_right_pb(physical_i, right_i, - boost::lambda::bind(static_cast(SymmGroup::fuse), - -boost::lambda::_1, boost::lambda::_2)); - - index_type loop_max = mpo.col_dim(); - - Boundary ret; - ret.resize(mpo.col_dim()); - - omp_for(index_type b2, parallel::range(0,loop_max), { - ContractionGrid contr_grid(mpo, 0, 0); - Kernel()(b2, contr_grid, left, t, mpo, mps.data().basis(), mps.data().left_basis(), right_i, out_left_i, in_right_pb, out_left_pb); - swap(ret[b2], contr_grid(0,0)); - }); - - return ret; - } - - template - static Boundary - right_boundary_tensor_mpo(MPSTensor mps, - Boundary const & right, - MPOTensor const & mpo, - Index const * in_low = NULL) - { - typedef typename SymmGroup::charge charge; - typedef typename MPOTensor::index_type index_type; - parallel::scheduler_permute scheduler(mpo.placement_l, parallel::groups_granularity); - - if (in_low == NULL) - in_low = &mps.col_dim(); - - contraction::common::MPSBoundaryProduct t(mps, right, mpo); - - Index physical_i = mps.site_dim(), left_i = mps.row_dim(), right_i = *in_low, - out_right_i = adjoin(physical_i) * right_i; - - ProductBasis in_left_pb(physical_i, left_i); - ProductBasis out_right_pb(physical_i, right_i, - boost::lambda::bind(static_cast(SymmGroup::fuse), - -boost::lambda::_1, boost::lambda::_2)); - Boundary ret; - ret.resize(mpo.row_dim()); - - index_type loop_max = mpo.row_dim(); - - omp_for(index_type b1, parallel::range(0,loop_max), { - parallel::guard group(scheduler(b1), parallel::groups_granularity); - Kernel()(b1, ret[b1], right, t, mpo, mps.data().basis(), mps.data().right_basis(), left_i, out_right_i, in_left_pb, out_right_pb); - }); - - return ret; - } - - template - static Boundary - overlap_mpo_left_step(MPSTensor const & bra_tensor, - MPSTensor const & ket_tensor, - Boundary const & left, - MPOTensor const & mpo) - { - typedef typename SymmGroup::charge charge; - typedef typename MPOTensor::index_type index_type; - - Index const & left_i = bra_tensor.row_dim(); - MPSTensor ket_cpy = ket_tensor; - BoundaryMPSProduct t(ket_cpy, left, mpo, left_i); - - Index right_i = ket_tensor.col_dim(); - Index bra_right_i = bra_tensor.col_dim(); - Index out_left_i = bra_tensor.site_dim() * left_i; - common_subset(out_left_i, bra_right_i); - ProductBasis out_left_pb(ket_tensor.site_dim(), left_i); - ProductBasis in_right_pb(ket_tensor.site_dim(), right_i, - boost::lambda::bind(static_cast(SymmGroup::fuse), - -boost::lambda::_1, boost::lambda::_2)); - - index_type loop_max = mpo.col_dim(); - - bra_tensor.make_left_paired(); - block_matrix bra_conj = conjugate(bra_tensor.data()); - - DualIndex ket_basis_transpose = ket_cpy.data().basis(); - for (std::size_t i = 0; i < ket_basis_transpose.size(); ++i) { - std::swap(ket_basis_transpose[i].lc, ket_basis_transpose[i].rc); - std::swap(ket_basis_transpose[i].ls, ket_basis_transpose[i].rs); - } - - Boundary ret; - ret.resize(loop_max); - - omp_for(index_type b2, parallel::range(0,loop_max), { - if (mpo.herm_info.right_skip(b2)) continue; - ContractionGrid contr_grid(mpo, 0, 0); - block_matrix tmp; - Kernel()(b2, contr_grid, left, t, mpo, ket_basis_transpose, left_i, right_i, out_left_i, in_right_pb, out_left_pb); - typename Gemm::gemm()(transpose(contr_grid(0,0)), bra_conj, ret[b2], MPOTensor_detail::get_spin(mpo, b2, false)); - }); - - /* - // hermiticity check - omp_for(index_type b2, parallel::range(0,loop_max), { - if (mpo.herm_info.right_skip(b2)) - { - block_matrix conj0 = ret[mpo.herm_info.right_conj(b2)]; - recover_conjugate(conj0, mpo, b2, false, false); - - block_matrix conj = transpose(conj0); - block_matrix diff = conj-ret[b2]; - if ( diff.norm() > 1e-6) - { - maquis::cout << "diff: " << diff << std::endl; - maquis::cout << "should:\n" << ret[b2]; - maquis::cout << "is:\n" << conj; - exit(1); - } - } - }); - */ - - return ret; - } - - template - static Boundary - overlap_mpo_right_step(MPSTensor const & bra_tensor, - MPSTensor const & ket_tensor, - Boundary const & right, - MPOTensor const & mpo) - { - typedef typename SymmGroup::charge charge; - typedef typename MPOTensor::index_type index_type; - parallel::scheduler_permute scheduler(mpo.placement_l, parallel::groups_granularity); - - Index const & physical_i = ket_tensor.site_dim(), - right_i = bra_tensor.col_dim(); - MPSTensor ket_cpy = ket_tensor; - contraction::common::MPSBoundaryProduct t(ket_cpy, right, mpo, right_i); - - Index left_i = ket_tensor.row_dim(), - out_right_i = adjoin(physical_i) * right_i, - bra_left_i = bra_tensor.row_dim(); - - common_subset(out_right_i, bra_left_i); - ProductBasis in_left_pb(physical_i, left_i); - ProductBasis out_right_pb(physical_i, right_i, - boost::lambda::bind(static_cast(SymmGroup::fuse), - -boost::lambda::_1, boost::lambda::_2)); - Boundary ret; - ret.resize(mpo.row_dim()); - - //ket_tensor.make_right_paired(); - index_type loop_max = mpo.row_dim(); - - bra_tensor.make_right_paired(); - block_matrix bra_conj = conjugate(bra_tensor.data()); - - omp_for(index_type b1, parallel::range(0,loop_max), { - if (mpo.herm_info.left_skip(b1)) continue; - Kernel()(b1, ret[b1], right, t, mpo, ket_cpy.data().basis(), right_i, left_i, out_right_i, in_left_pb, out_right_pb); - - block_matrix tmp; - typename Gemm::gemm()(ret[b1], transpose(bra_conj), tmp, MPOTensor_detail::get_spin(mpo, b1, true)); - //gemm(ret[b1], transpose(bra_conj), tmp, parallel::scheduler_size_indexed(ret[b1])); - swap(ret[b1], tmp); - }); - return ret; - } - - } // namespace common + } + }); + */ + return ret; +} + +template +static Boundary +overlap_mpo_right_step(MPSTensor const & bra_tensor, + MPSTensor const & ket_tensor, + Boundary const & right, + MPOTensor const & mpo) +{ + typedef typename SymmGroup::charge charge; + typedef typename MPOTensor::index_type index_type; + parallel::scheduler_permute scheduler(mpo.placement_l, parallel::groups_granularity); + Index const & physical_i = ket_tensor.site_dim(), + right_i = bra_tensor.col_dim(); + MPSTensor ket_cpy = ket_tensor; + contraction::common::MPSBoundaryProduct t(ket_cpy, right, mpo, right_i); + Index left_i = ket_tensor.row_dim(), + out_right_i = adjoin(physical_i) * right_i, + bra_left_i = bra_tensor.row_dim(); + common_subset(out_right_i, bra_left_i); + ProductBasis in_left_pb(physical_i, left_i); + ProductBasis out_right_pb(physical_i, right_i, + boost::lambda::bind(static_cast(SymmGroup::fuse), + -boost::lambda::_1, boost::lambda::_2)); + Boundary ret; + ret.resize(mpo.row_dim()); + //ket_tensor.make_right_paired(); + index_type loop_max = mpo.row_dim(); + bra_tensor.make_right_paired(); + block_matrix bra_conj = conjugate(bra_tensor.data()); + omp_for(index_type b1, parallel::range(0,loop_max), { + if (mpo.herm_info.left_skip(b1)) continue; + Kernel()(b1, ret[b1], right, t, mpo, ket_cpy.data().basis(), right_i, left_i, out_right_i, in_left_pb, out_right_pb); + block_matrix tmp; + typename Gemm::gemm()(ret[b1], transpose(bra_conj), tmp, MPOTensor_detail::get_spin(mpo, b1, true)); + //gemm(ret[b1], transpose(bra_conj), tmp, parallel::scheduler_size_indexed(ret[b1])); + swap(ret[b1], tmp); + }); + return ret; +} + +// +-----------------------+ +// GENERATE_LEFT_MPO_BASIS +// +-----------------------+ +template +static Boundary +generate_left_mpo_basis(MPSTensor const & bra_tensor, // Bra MPSTensor object + MPSTensor const & ket_tensor, // Ket MPSTensor object + Boundary const & left, // Left boundary + MPOTensor const & mpo) // MPOTensor object) +{ + // Types definition + typedef typename SymmGroup::charge charge; + typedef typename MPOTensor::index_type index_type; + MPSTensor ket_cpy = ket_tensor; + // Contracts the boundary with the MPS. Returns a vector of block_matrix objects. + contraction::common::BoundaryMPSProduct t(ket_cpy, left, mpo); + // Here index are generated on the basis of the symmetry. + // Consider that inside boundary_times_mps ket_cpy is made right paired, thus also the output + // Will be right paired. However, the multiplication with the bra will contract both the physical + // and the auxiliary index, thus the output has to be left paired. + Index const & left_i = bra_tensor.row_dim(); + Index right_i = ket_tensor.col_dim(); + Index out_left_i = ket_tensor.site_dim() * left_i; + common_subset(out_left_i, right_i); + // The input product basis (in_right_pb) is computed as product of the site_dim of the ket_tensor object + // by the its col_dim. In fact, the tensor in input is right_paired. The output is instead left_paired + // (and the fusion has to be done with the minus sign). + ProductBasis out_left_pb(ket_tensor.site_dim(), left_i); + ProductBasis in_right_pb(ket_tensor.site_dim(), right_i, + boost::lambda::bind(static_cast(SymmGroup::fuse), + -boost::lambda::_1, boost::lambda::_2)); + index_type loop_max = mpo.col_dim(); + DualIndex ket_basis_transpose = ket_cpy.data().basis(); + for (std::size_t i = 0; i < ket_basis_transpose.size(); ++i) { + std::swap(ket_basis_transpose[i].lc, ket_basis_transpose[i].rc); + std::swap(ket_basis_transpose[i].ls, ket_basis_transpose[i].rs); + } + Boundary ret; + ret.resize(loop_max); + // During the for cycle, which is run in parallel, a vector of block_matrix object is populated, which + // is the grid attribute of the ContractionGrid object. The grid vector is then contracted back with + // the bra tensor. + omp_for(index_type b2, parallel::range(0,loop_max), { + if (mpo.herm_info.right_skip(b2)) + continue; + ContractionGrid contr_grid(mpo, 0, 0); + Kernel()(b2, contr_grid, left, t, mpo, ket_basis_transpose, left_i, right_i, out_left_i, in_right_pb, out_left_pb); + // Final contraction with the MPS + ret[b2] = contr_grid(0,0); + }); + return ret; +}; + +// +------------------------+ +// GENERATE_RIGHT_MPO_BASIS +// +------------------------+ +// Parallel of [GENERATE_LEFT_MPO_BASIS]. +template +static Boundary +generate_right_mpo_basis(MPSTensor const & bra_tensor, MPSTensor const & ket_tensor, + Boundary const & right, MPOTensor const & mpo) +{ + // Types definition + typedef typename SymmGroup::charge charge; + typedef typename MPOTensor::index_type index_type; + parallel::scheduler_permute scheduler(mpo.placement_l, parallel::groups_granularity); + // Contracts with the right boundary + MPSTensor ket_cpy = ket_tensor; + contraction::common::MPSBoundaryProduct t(ket_cpy, right, mpo); + // Generates the indexes + Index const & physical_i = ket_tensor.site_dim(); + Index right_i = bra_tensor.col_dim(); + Index left_i = ket_tensor.row_dim(); + Index out_right_i = adjoin(physical_i) * right_i; + common_subset(out_right_i, left_i); + ProductBasis in_left_pb(physical_i, left_i); + ProductBasis out_right_pb(physical_i, right_i, boost::lambda::bind(static_cast(SymmGroup::fuse), + -boost::lambda::_1, boost::lambda::_2)); + // Prepares output + Boundary ret; + ret.resize(mpo.row_dim()); + index_type loop_max = mpo.row_dim(); + // Main loop + auto now = std::chrono::high_resolution_clock::now(); + omp_for(index_type b1, parallel::range(0,loop_max), { + if (mpo.herm_info.left_skip(b1)) + continue; + Kernel()(b1, ret[b1], right, t, mpo, ket_cpy.data().basis(), right_i, left_i, out_right_i, in_left_pb, out_right_pb); + }); + return ret; +} + +} // namespace common } // namespace contraction #endif diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/common/prediction.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/common/prediction.hpp index 976c2b1c5..89549c814 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/common/prediction.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/common/prediction.hpp @@ -34,126 +34,124 @@ #include "dmrg/block_matrix/indexing.h" namespace contraction { - namespace common { +namespace common { - template - static std::pair, truncation_results> - predict_new_state_l2r_sweep(MPSTensor const & mps, - MPOTensor const & mpo, - Boundary const & left, - Boundary const & right, - double alpha, double cutoff, std::size_t Mmax) - { - mps.make_left_paired(); - block_matrix dm; - typename Gemm::gemm()(mps.data(), transpose(conjugate(mps.data())), dm); - - Boundary half_dm - = left_boundary_tensor_mpo(mps, left, mpo); - - mps.make_left_paired(); - for (std::size_t b = 0; b < half_dm.aux_dim(); ++b) - { - block_matrix tdm; - typename Gemm::gemm()(half_dm[b], transpose(conjugate(half_dm[b])), tdm); - - - tdm *= alpha; - for (std::size_t k = 0; k < tdm.n_blocks(); ++k) { - if (mps.data().basis().has(tdm.basis().left_charge(k), tdm.basis().right_charge(k))) - dm.match_and_add_block(tdm[k], - tdm.basis().left_charge(k), - tdm.basis().right_charge(k)); - } +template +static std::pair, truncation_results> +predict_new_state_l2r_sweep(MPSTensor const & mps, MPOTensor const & mpo, + Boundary const & left, Boundary const & right, + double alpha, double cutoff, std::size_t Mmax, bool doPerturbDM=true) +{ + mps.make_left_paired(); + block_matrix U, V, dm; + block_matrix::type, SymmGroup> S; + truncation_results trunc; + MPSTensor ret = mps; + if (doPerturbDM) { + typename Gemm::gemm()(mps.data(), transpose(conjugate(mps.data())), dm); + assert( weak_equal(dm.left_basis(), mps.data().left_basis()) ); + Boundary half_dm + = left_boundary_tensor_mpo(mps, left, mpo); + for (int b = 0; b < half_dm.aux_dim(); ++b) { + block_matrix tdm; + typename Gemm::gemm()(half_dm[b], transpose(conjugate(half_dm[b])), tdm); + tdm *= alpha; + for (int k = 0; k < tdm.n_blocks(); ++k) { + if (mps.data().basis().has(tdm.basis().left_charge(k), tdm.basis().right_charge(k))) + dm.match_and_add_block(tdm[k], + tdm.basis().left_charge(k), + tdm.basis().right_charge(k)); } - - mps.make_left_paired(); - assert( weak_equal(dm.left_basis(), mps.data().left_basis()) ); - - block_matrix U; - block_matrix::type, SymmGroup> S; - truncation_results trunc = heev_truncate(dm, U, S, cutoff, Mmax); - - MPSTensor ret = mps; - ret.replace_left_paired(U); - return std::make_pair(ret, trunc); } + trunc = heev_truncate(dm, U, S, cutoff, Mmax); + } + else { + block_matrix tmp = mps.data(); + trunc = svd_truncate(tmp, U, V, S, cutoff, Mmax); + //typename Gemm::gemm()(mps.data(), transpose(conjugate(mps.data())), dm); + //trunc = heev_truncate(dm, U, S, cutoff, Mmax); + } + ret.replace_left_paired(U); + return std::make_pair(ret, trunc); +} - template - static MPSTensor - predict_lanczos_l2r_sweep(MPSTensor B, - MPSTensor const & psi, - MPSTensor const & A) - { - psi.make_left_paired(); - A.make_left_paired(); - - block_matrix tmp; - typename Gemm::gemm()(transpose(conjugate(A.data())), psi.data(), tmp); - B.multiply_from_left(tmp); - - return B; - } +template +static MPSTensor +predict_lanczos_l2r_sweep(MPSTensor B, + MPSTensor const & psi, + MPSTensor const & A) +{ + psi.make_left_paired(); + A.make_left_paired(); + + block_matrix tmp; + typename Gemm::gemm()(transpose(conjugate(A.data())), psi.data(), tmp); + B.multiply_from_left(tmp); + + return B; +} - template - static std::pair, truncation_results> - predict_new_state_r2l_sweep(MPSTensor const & mps, - MPOTensor const & mpo, - Boundary const & left, - Boundary const & right, - double alpha, double cutoff, std::size_t Mmax) - { - mps.make_right_paired(); - block_matrix dm; - typename Gemm::gemm()(transpose(conjugate(mps.data())), mps.data(), dm); - - Boundary half_dm - = right_boundary_tensor_mpo(mps, right, mpo); - - mps.make_right_paired(); - for (std::size_t b = 0; b < half_dm.aux_dim(); ++b) - { - block_matrix tdm; - typename Gemm::gemm()(transpose(conjugate(half_dm[b])), half_dm[b], tdm); - - tdm *= alpha; - for (std::size_t k = 0; k < tdm.n_blocks(); ++k) { - if (mps.data().basis().has(tdm.basis().left_charge(k), tdm.basis().right_charge(k))) - dm.match_and_add_block(tdm[k], - tdm.basis().left_charge(k), - tdm.basis().right_charge(k)); - } +template +static std::pair, truncation_results> +predict_new_state_r2l_sweep(MPSTensor const & mps, MPOTensor const & mpo, + Boundary const & left, Boundary const & right, + double alpha, double cutoff, std::size_t Mmax, bool doPerturbDM) +{ + // Initialization + mps.make_right_paired(); + block_matrix dm; + MPSTensor ret = mps; + truncation_results trunc; + block_matrix U, V; + block_matrix::type, SymmGroup> S; + // Compute "real" density matrix + mps.make_right_paired(); + if (doPerturbDM) { + // Add noise + typename Gemm::gemm()(transpose(conjugate(mps.data())), mps.data(), dm); + Boundary half_dm + = right_boundary_tensor_mpo(mps, right, mpo); + for (std::size_t b = 0; b < half_dm.aux_dim(); ++b) { + block_matrix tdm; + typename Gemm::gemm()(transpose(conjugate(half_dm[b])), half_dm[b], tdm); + tdm *= alpha; + for (std::size_t k = 0; k < tdm.n_blocks(); ++k) { + if (mps.data().basis().has(tdm.basis().left_charge(k), tdm.basis().right_charge(k))) + dm.match_and_add_block(tdm[k], + tdm.basis().left_charge(k), + tdm.basis().right_charge(k)); } - - mps.make_right_paired(); - assert( weak_equal(dm.right_basis(), mps.data().right_basis()) ); - - block_matrix U; - block_matrix::type, SymmGroup> S; - truncation_results trunc = heev_truncate(dm, U, S, cutoff, Mmax); - - MPSTensor ret = mps; - ret.replace_right_paired(adjoint(U)); - return std::make_pair(ret, trunc); - } - - template - static MPSTensor - predict_lanczos_r2l_sweep(MPSTensor B, - MPSTensor const & psi, - MPSTensor const & A) - { - psi.make_right_paired(); - A.make_right_paired(); - - block_matrix tmp; - typename Gemm::gemm()(psi.data(), transpose(conjugate(A.data())), tmp); - - B.multiply_from_right(tmp); - - return B; } - } // namespace common + mps.make_right_paired(); + assert( weak_equal(dm.right_basis(), mps.data().right_basis()) ); + trunc = heev_truncate(dm, U, S, cutoff, Mmax); + } + else { + block_matrix tmp = transpose(conjugate(mps.data())); + trunc = svd_truncate(tmp, U, V, S, cutoff, Mmax); + } + ret.replace_right_paired(adjoint(U)); + return std::make_pair(ret, trunc); +} + +template +static MPSTensor +predict_lanczos_r2l_sweep(MPSTensor B, + MPSTensor const & psi, + MPSTensor const & A) +{ + psi.make_right_paired(); + A.make_right_paired(); + + block_matrix tmp; + typename Gemm::gemm()(psi.data(), transpose(conjugate(A.data())), tmp); + + B.multiply_from_right(tmp); + + return B; +} + +} // namespace common } // namespace contraction #endif diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/engine.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/engine.hpp index 848241826..fbefcf42c 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/engine.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/engine.hpp @@ -151,10 +151,10 @@ namespace contraction { MPOTensor const & mpo, Boundary const & left, Boundary const & right, - double alpha, double cutoff, std::size_t Mmax) + double alpha, double cutoff, std::size_t Mmax, bool perturbDM) { return common::predict_new_state_l2r_sweep - (mps, mpo, left, right, alpha, cutoff, Mmax); + (mps, mpo, left, right, alpha, cutoff, Mmax, perturbDM); } static MPSTensor @@ -170,10 +170,10 @@ namespace contraction { MPOTensor const & mpo, Boundary const & left, Boundary const & right, - double alpha, double cutoff, std::size_t Mmax) + double alpha, double cutoff, std::size_t Mmax, bool perturbDM) { return common::predict_new_state_r2l_sweep - (mps, mpo, left, right, alpha, cutoff, Mmax); + (mps, mpo, left, right, alpha, cutoff, Mmax, perturbDM); } static MPSTensor @@ -184,15 +184,40 @@ namespace contraction { return common::predict_lanczos_r2l_sweep(B, psi, A); } + static Boundary + generate_left_mpo_basis(MPSTensor const & bra_tensor, MPSTensor const & ket_tensor, + Boundary const & left, MPOTensor const & mpo) + { + return common::generate_left_mpo_basis(bra_tensor, ket_tensor, left, mpo); + } + + static Boundary + generate_right_mpo_basis(MPSTensor const & bra_tensor, MPSTensor const & ket_tensor, + Boundary const & right, MPOTensor const & mpo) + { + return common::generate_right_mpo_basis(bra_tensor, ket_tensor, right, mpo); + } + static MPSTensor site_hamil2(MPSTensor ket_tensor, Boundary const & left, Boundary const & right, MPOTensor const & mpo); + + static block_matrix + zerosite_hamil2(block_matrix bra_tensor, block_matrix ket_tensor, + Boundary const & left, Boundary const & right, + MPOTensor const & mpo_left, MPOTensor const & mpo_right); + + static block_matrix + zerosite_hamil2(block_matrix ket_tensor, Boundary const & left, + Boundary const & right, MPOTensor const & mpo_left, + MPOTensor const & mpo_right); }; } // namespace contraction #include "dmrg/mp_tensors/contractions/non-abelian/site_hamil.hpp" +#include "dmrg/mp_tensors/contractions/non-abelian/zero_site_hamil.hpp" #endif diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/gemm.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/gemm.hpp index 0a561b906..b1adc0431 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/gemm.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/gemm.hpp @@ -37,37 +37,31 @@ namespace SU2 { { assert( SymmGroup::spin(lc) >= 0); assert( SymmGroup::spin(rc) >= 0); - typename SymmGroup::subcharge S = std::min(SymmGroup::spin(rc), SymmGroup::spin(lc)); typename SymmGroup::subcharge spin_diff = SymmGroup::spin(rc) - SymmGroup::spin(lc); - - if (tensor_spin == 0) - { - return 1.; + T ret = 0.; + if (tensor_spin == 0) { + ret = T(1.); } - else if (tensor_spin == 1) - { + else if (tensor_spin == 1) { if (spin_diff > 0) - return -T( sqrt((S + 1.)/(S + 2.)) ); + ret = -T( sqrt((S + 1.)/(S + 2.)) ); else if (spin_diff < 0) - return T( sqrt((S + 2.)/(S + 1.)) ); + ret = T( sqrt((S + 2.)/(S + 1.)) ); } - else if (tensor_spin == 2) - { + else if (tensor_spin == 2) { if (spin_diff > 0) - return -T( sqrt( (S + 1.) / (S + 3.)) ); - + ret = -T( sqrt( (S + 1.) / (S + 3.)) ); else if (spin_diff < 0) - return -T( sqrt((S + 3.) / (S + 1.)) ); - + ret = -T( sqrt((S + 3.) / (S + 1.)) ); else - return 1.; + ret = T(1.); } else { throw std::runtime_error("hermitian conjugate for reduced tensor operators only implemented up to rank 1"); } - return -1; + return ret; } template diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/site_hamil.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/site_hamil.hpp index bcad5361d..82cd2b155 100644 --- a/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/site_hamil.hpp +++ b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/site_hamil.hpp @@ -137,8 +137,8 @@ namespace contraction { } if (mpo.herm_info.right_skip(b2)) { - std::vector phases = ::contraction::common::conjugate_phases(transpose(right[mpo.herm_info.right_conj(b2)]), mpo, b2, false, true); - ::SU2::gemm_trim(contr_grid(0,0), transpose(right[mpo.herm_info.right_conj(b2)]), tmp, phases, false); + std::vector phases = ::contraction::common::conjugate_phases(adjoint(right[mpo.herm_info.right_conj(b2)]), mpo, b2, false, true); + ::SU2::gemm_trim(contr_grid(0,0), adjoint(right[mpo.herm_info.right_conj(b2)]), tmp, phases, false); } else ::SU2::gemm_trim(contr_grid(0,0), right[b2], tmp, std::vector(contr_grid(0,0).n_blocks(), 1.), true); diff --git a/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/zero_site_hamil.hpp b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/zero_site_hamil.hpp new file mode 100644 index 000000000..db801a1c3 --- /dev/null +++ b/dmrg/framework/dmrg/mp_tensors/contractions/non-abelian/zero_site_hamil.hpp @@ -0,0 +1,110 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * Laboratory for Physical Chemistry, ETH Zurich + * 2021-2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef CONTRACTIONS_SU2_ZERO_SITE_HAMIL_HPP +#define CONTRACTIONS_SU2_ZERO_SITE_HAMIL_HPP + +namespace contraction { + +template +block_matrix +zerosite_hamil_lbtm(block_matrix bra_tensor, block_matrix ket_tensor, Boundary const & left, + Boundary const & right, MPOTensor const & mpo_left, MPOTensor const & mpo_right); + +template +block_matrix +Engine>:: +zerosite_hamil2(block_matrix bra_tensor, block_matrix ket_tensor, Boundary const & left, + Boundary const & right, MPOTensor const & mpo_left, MPOTensor const & mpo_right) +{ + return zerosite_hamil_lbtm(bra_tensor, ket_tensor, left, right, mpo_left, mpo_right); +} + +template +block_matrix +Engine>:: +zerosite_hamil2(block_matrix ket_tensor, Boundary const & left, Boundary const & right, + MPOTensor const & mpo_left, MPOTensor const & mpo_right) +{ + return zerosite_hamil_lbtm(ket_tensor, ket_tensor, left, right, mpo_left, mpo_right); +} + +template +block_matrix +zerosite_hamil_lbtm_kernel(block_matrix const & bra_tensor, block_matrix ket_tensor, + Boundary const & left, Boundary const & right, + MPOTensor const & mpo_left, MPOTensor const & mpo_right) +{ + // General types and variables + typedef typename SymmGroup::charge charge; + typedef typename MPOTensor::index_type index_type; + typedef typename Matrix::value_type value_type; + block_matrix ret; + // Contraction with the boundary + contraction::common::BoundaryMPSProduct t(ket_tensor, left, mpo_right, false); + index_type loop_max = mpo_right.row_dim(); + // Final contraction with the right boundary + omp_for(index_type b2, parallel::range(0,loop_max), { + // Variables and types + block_matrix tmp, tmp2, local; + // Contraction + if (mpo_right.herm_info.left_skip(b2)) { + //std::vector phases = ::contraction::common::conjugate_phases(adjoint(right[mpo_left.herm_info.right_conj(b2)]), mpo_left, b2, false, true); + //::SU2::gemm_trim(t.at(b2, local), adjoint(right[mpo_left.herm_info.right_conj(b2)]), tmp, phases, false); + ::SU2::gemm_trim(t.at(b2, local), adjoint(right[mpo_left.herm_info.right_conj(b2)]), tmp, std::vector(adjoint(right[mpo_left.herm_info.right_conj(b2)]).n_blocks(), 1.), false); + } + else { + ::SU2::gemm_trim(t.at(b2, local), right[b2], tmp, std::vector(t.at(b2, local).n_blocks(), 1.), true); + } + parallel_critical + for (std::size_t k = 0; k < tmp.n_blocks(); ++k) + ret.match_and_add_block(tmp[k], tmp.basis().left_charge(k), tmp.basis().right_charge(k)); + }); + return ret; +} + +template +block_matrix +zerosite_hamil_lbtm(block_matrix ket_tensor, Boundary const & left, + Boundary const & right, MPOTensor const & mpo_left, + MPOTensor const & mpo_right) +{ + return zerosite_hamil_lbtm_kernel(ket_tensor, ket_tensor, left, right, mpo_left, mpo_right); +} + +template +block_matrix +zerosite_hamil_lbtm(block_matrix bra_tensor, block_matrix ket_tensor, + Boundary const & left, Boundary const & right, + MPOTensor const & mpo_left, MPOTensor const & mpo_right) +{ + return zerosite_hamil_lbtm_kernel(bra_tensor, ket_tensor, left, right, mpo_left, mpo_right); +} + +} // namespace contraction + +#endif diff --git a/dmrg/framework/dmrg/mp_tensors/mpo_contractor_ss.h b/dmrg/framework/dmrg/mp_tensors/mpo_contractor_ss.h index 1d162aa7b..50b16c2a8 100644 --- a/dmrg/framework/dmrg/mp_tensors/mpo_contractor_ss.h +++ b/dmrg/framework/dmrg/mp_tensors/mpo_contractor_ss.h @@ -30,32 +30,14 @@ #include #include "dmrg/optimize/ietl_lanczos_solver.h" + #include "dmrg/optimize/ietl_jacobi_davidson.h" #ifdef HAVE_ARPACK #include "dmrg/optimize/arpackpp_solver.h" #endif - +#include "dmrg/mp_tensors/siteproblem.h" #include "dmrg/utils/BaseParameters.h" - -template -struct SiteProblem -{ - SiteProblem(MPSTensor const & ket_tensor_, - Boundary::type, SymmGroup> const & left_, - Boundary::type, SymmGroup> const & right_, - MPOTensor const & mpo_) - : ket_tensor(ket_tensor_) - , left(left_) - , right(right_) - , mpo(mpo_) { } - - MPSTensor const & ket_tensor; - Boundary::type, SymmGroup> const & left; - Boundary::type, SymmGroup> const & right; - MPOTensor const & mpo; -}; - #define BEGIN_TIMING(name) \ now = std::chrono::high_resolution_clock::now(); #define END_TIMING(name) \ diff --git a/dmrg/framework/dmrg/mp_tensors/mps.hpp b/dmrg/framework/dmrg/mp_tensors/mps.hpp index 18e9e7181..35b127440 100644 --- a/dmrg/framework/dmrg/mp_tensors/mps.hpp +++ b/dmrg/framework/dmrg/mp_tensors/mps.hpp @@ -242,7 +242,7 @@ MPS::grow_l2r_sweep(MPOTensor const & mpo, truncation_results trunc; boost::tie(new_mps, trunc) = - contraction::Engine::predict_new_state_l2r_sweep((*this)[l], mpo, left, right, alpha, cutoff, Mmax); + contraction::Engine::predict_new_state_l2r_sweep((*this)[l], mpo, left, right, alpha, cutoff, Mmax, true); (*this)[l+1] = contraction::Engine::predict_lanczos_l2r_sweep((*this)[l+1], (*this)[l], new_mps); @@ -263,7 +263,7 @@ MPS::grow_r2l_sweep(MPOTensor const & mpo, truncation_results trunc; boost::tie(new_mps, trunc) = - contraction::Engine::predict_new_state_r2l_sweep((*this)[l], mpo, left, right, alpha, cutoff, Mmax); + contraction::Engine::predict_new_state_r2l_sweep((*this)[l], mpo, left, right, alpha, cutoff, Mmax, true); (*this)[l-1] = contraction::Engine::predict_lanczos_r2l_sweep((*this)[l-1], (*this)[l], new_mps); diff --git a/dmrg/framework/dmrg/mp_tensors/mpstensor.h b/dmrg/framework/dmrg/mp_tensors/mpstensor.h index 6c3845465..0b3908af2 100644 --- a/dmrg/framework/dmrg/mp_tensors/mpstensor.h +++ b/dmrg/framework/dmrg/mp_tensors/mpstensor.h @@ -77,6 +77,9 @@ class MPSTensor void replace_right_paired(block_matrix const &, Indicator =Unorm); void replace_left_paired(block_matrix const &, Indicator =Unorm); + void add_block_to_row(block_matrix & bm); + void add_block_to_column(block_matrix & bm); + // these are not const because after a numerical test // they may update the status bool isleftnormalized(bool test = false) const; diff --git a/dmrg/framework/dmrg/mp_tensors/mpstensor.hpp b/dmrg/framework/dmrg/mp_tensors/mpstensor.hpp index bc68c4ecc..8be26c5d8 100644 --- a/dmrg/framework/dmrg/mp_tensors/mpstensor.hpp +++ b/dmrg/framework/dmrg/mp_tensors/mpstensor.hpp @@ -663,3 +663,36 @@ std::size_t MPSTensor::num_elements() const { return data().num_elements(); } + +// MPSTensor parallel of the routine [match_and_add_block] +template +void MPSTensor::add_block_to_row(block_matrix& bm) +{ + // The modified index is the row one, so the merged index is put into the column + make_right_paired(); + // Loop over all the symmetry blocks of the block_matrix object + for (std::size_t idx = 0; idx < bm.n_blocks(); idx++) { + // Safety checks + assert(this->data().get_right_dim(idx) == bm.get_right_dim(idx)); + auto i_2mod = this->left_i.position(bm.get_left_charge(idx)); + // Finds the physical index associated to the block I am adding + this->left_i[i_2mod].second += bm.get_left_dim(idx); + this->data_.add_block_to_row(bm, bm.get_left_charge(idx), bm.get_right_charge(idx)); + } +} + +template +void MPSTensor::add_block_to_column(block_matrix& bm) +{ + // The modified index is the column one, so the merged index is put into the row + make_left_paired(); + // Loop over all the symmetry blocks of the block_matrix object + for (std::size_t idx = 0; idx < bm.n_blocks(); idx++) { + // Safety checks + assert(this->data().get_left_dim(idx) == bm.get_left_dim(idx)); + auto i_2mod = this->right_i.position(bm.get_right_charge(idx)); + // Finds the physical index associated to the block I am adding + this->right_i[i_2mod].second += bm.get_right_dim(idx); + this->data_.add_block_to_column(bm, bm.get_left_charge(idx), bm.get_right_charge(idx)); + } +} diff --git a/dmrg/framework/dmrg/mp_tensors/siteproblem.h b/dmrg/framework/dmrg/mp_tensors/siteproblem.h new file mode 100644 index 000000000..eec473c2e --- /dev/null +++ b/dmrg/framework/dmrg/mp_tensors/siteproblem.h @@ -0,0 +1,88 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021-2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#include "dmrg/mp_tensors/boundary.h" +#include "dmrg/mp_tensors/mpstensor.h" +#include "dmrg/mp_tensors/mpotensor.h" +#include "dmrg/optimize/ietl_lanczos_solver.h" + +#ifndef SITEPROBLEM +#define SITEPROBLEM + +/** + * @brief Class representing a site-centered eigenvalue problem. + * + * This class wraps, in practice, all ingredients that are required to calculate + * the sigma vector for a MPS/MPO contraction. + */ +template +struct SiteProblem +{ + /** @brief Default constructor */ + SiteProblem(Boundary::type, SymmGroup> const & left_, + Boundary::type, SymmGroup> const & right_, + MPOTensor const & mpo_) : left(left_), right(right_), mpo(mpo_) + { } + + /** @brief Method to evaluate the sigma vector */ + MPSTensor apply(const MPSTensor& input_vec) const { + MPSTensor ret; + ietl::mult(*this, input_vec, ret); + return ret; + } + + /** @brief Energy getter */ + typename MPSTensor::real_type get_energy(const MPSTensor& x) + { + MPSTensor y; + ietl::mult(*this, x, y); + auto res = ietl::dot(x,y)/ietl::dot(x,x); + x.make_left_paired(); + return maquis::real(res); + } + + /** Class members */ + Boundary::type, SymmGroup> const & left; + Boundary::type, SymmGroup> const & right; + MPOTensor const & mpo; + double ortho_shift=0.; +}; + +namespace ietl { + +template +typename MPSTensor::real_type get_energy(const SiteProblem& H, MPSTensor const &x) +{ + MPSTensor y; + ietl::mult(H, x, y); + typename MPSTensor::scalar_type res = ietl::dot(x,y)/ietl::dot(x,x); + x.make_left_paired(); + return maquis::real(res); +} + +} // ietl + +#endif // SITEPROBLEM \ No newline at end of file diff --git a/dmrg/framework/dmrg/mp_tensors/zerositeproblem.h b/dmrg/framework/dmrg/mp_tensors/zerositeproblem.h new file mode 100644 index 000000000..5a90fd0cd --- /dev/null +++ b/dmrg/framework/dmrg/mp_tensors/zerositeproblem.h @@ -0,0 +1,77 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2014 Institute for Theoretical Physics, ETH Zurich + * 2018-2020 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#ifndef MAQUIS_DMRG_ZEROSITEPROBLEM_H +#define MAQUIS_DMRG_ZEROSITEPROBLEM_H + +#include "dmrg/mp_tensors/mpstensor.h" +#include "dmrg/block_matrix/block_matrix.h" +#include "dmrg/mp_tensors/boundary.h" +#include "dmrg/utils/parallel.hpp" +#include "dmrg/mp_tensors/mpo.h" +#include "dmrg/mp_tensors/mpotensor.h" +#include + +/** + * @brief ZeroSiteProblem class + * + * Similar to SiteProblem, but used only in the back-propagation step of TD-DMRG. + */ + +template +class ZeroSiteProblem +{ +public: + // Types definition + using BlockMatrixType = block_matrix; + using BoundaryType = Boundary::type, SymmGroup>; + using MPOTensorType = MPOTensor; + /** @brief Class constructor */ + ZeroSiteProblem(const MPOTensorType& mpo_ten_left, const MPOTensorType& mpo_ten_right, + const BoundaryType& left, const BoundaryType& right) + : MPOTen_left_(mpo_ten_left), MPOTen_right_(mpo_ten_right), left_(left), right_(right) + {} + + /** @brief Method to apply an operator */ + BlockMatrixType apply(const BlockMatrixType& input_MPS) const { + return contraction::Engine::zerosite_hamil2(input_MPS, left_, right_, MPOTen_left_, MPOTen_right_); + } + + /** @brief Energy getter */ + auto get_energy(const BlockMatrixType& x) + { + auto y = this->apply(x); + auto res = ietl::dot(x, y)/ietl::dot(x, x); + return maquis::real(res); + } + +private: + // -- Private attributes -- + const MPOTensorType& MPOTen_left_, MPOTen_right_; + const BoundaryType& left_, right_; +}; + +#endif //MAQUIS_DMRG_ZEROSITEPROBLEM_H \ No newline at end of file diff --git a/dmrg/framework/dmrg/optimize/ietl_lanczos_solver.h b/dmrg/framework/dmrg/optimize/ietl_lanczos_solver.h index b37da82c2..fdd4992fa 100644 --- a/dmrg/framework/dmrg/optimize/ietl_lanczos_solver.h +++ b/dmrg/framework/dmrg/optimize/ietl_lanczos_solver.h @@ -28,40 +28,60 @@ #define IETL_LANCZOS_SOLVER_H #include "dmrg/utils/BaseParameters.h" +#include "dmrg/mp_tensors/mpstensor.h" +#include "dmrg/block_matrix/block_matrix.h" +#include "dmrg/mp_tensors/contractions/engine.h" -namespace ietl +namespace ietl { + +template void generate(MPSTensor & m, Generator g) { - template void generate(MPSTensor & m, Generator g) - { - m.data().generate(g); - } + m.data().generate(g); +} - template void generate(MPSTensor & m, MPSTensor const & m2) - { - m = m2; - } +template void generate(MPSTensor & m, MPSTensor const & m2) +{ + m = m2; +} - template void swap(MPSTensor & x, MPSTensor & y) - { - x.swap_with(y); - } +template void swap(MPSTensor & x, MPSTensor & y) +{ + x.swap_with(y); +} - template - typename MPSTensor::scalar_type - dot(MPSTensor const & x, MPSTensor const & y) - { - return x.scalar_overlap(y); - } +template +typename MPSTensor::scalar_type +dot(MPSTensor const & x, MPSTensor const & y) +{ + return x.scalar_overlap(y); +} - template - typename MPSTensor::real_type - two_norm(MPSTensor const & x) - { - return x.scalar_norm(); - } +template +typename block_matrix::scalar_type +dot(block_matrix const & x, block_matrix const & y) +{ + return x.scalar_overlap(y); +} + +template +typename MPSTensor::real_type +two_norm(MPSTensor const & x) +{ + return x.scalar_norm(); +} + +template +typename block_matrix::real_type +two_norm(block_matrix const & x) +{ + return x.norm(); } -template struct SiteProblem; +} // ietl + +// Forward declaration of the SiteProblem +template +struct SiteProblem; template class SingleSiteVS diff --git a/dmrg/framework/dmrg/optimize/optimize.h b/dmrg/framework/dmrg/optimize/optimize.h index 34ef69b61..093bf2052 100644 --- a/dmrg/framework/dmrg/optimize/optimize.h +++ b/dmrg/framework/dmrg/optimize/optimize.h @@ -48,26 +48,7 @@ #include "dmrg/utils/time_limit_exception.h" #include "dmrg/utils/parallel/placement.hpp" #include "dmrg/utils/checks.h" - - -template - -struct SiteProblem -{ - SiteProblem(Boundary::type, SymmGroup> const & left_, - Boundary::type, SymmGroup> const & right_, - MPOTensor const & mpo_) - : left(left_) - , right(right_) - , mpo(mpo_) - { - } - - Boundary::type, SymmGroup> const & left; - Boundary::type, SymmGroup> const & right; - MPOTensor const & mpo; - double ortho_shift; -}; +#include "dmrg/mp_tensors/siteproblem.h" #define BEGIN_TIMING(name) \ now = std::chrono::high_resolution_clock::now(); diff --git a/dmrg/framework/dmrg/sim/abstract_sim.h b/dmrg/framework/dmrg/sim/abstract_sim.h index f6bdc2bb6..5cf7805a1 100644 --- a/dmrg/framework/dmrg/sim/abstract_sim.h +++ b/dmrg/framework/dmrg/sim/abstract_sim.h @@ -37,9 +37,19 @@ class abstract_sim { public: virtual ~abstract_sim() {} - virtual void run() =0; + virtual void run(std::string runType) = 0; }; +/** + * @brief Virtual class defining the scheleton of a simulation object. + * + * This virtual class defines the skeleton of a simulation object + * that runs a DMRG calculation. + * + * @tparam Matrix class defining the types of the matrix entering the definition + * of the block_matrix. + */ + template class abstract_interface_sim { public: @@ -48,8 +58,8 @@ class abstract_interface_sim { typedef std::map results_map_type; virtual ~abstract_interface_sim() {} - virtual void run() =0; - virtual void run_measure() =0; + virtual void run(std::string runType) = 0; + virtual void run_measure() = 0; virtual typename Matrix::value_type get_energy() = 0; virtual results_collector& get_iteration_results() = 0; virtual int get_last_sweep() = 0; diff --git a/dmrg/framework/dmrg/sim/interface_sim.h b/dmrg/framework/dmrg/sim/interface_sim.h index 696391196..e927b11e8 100644 --- a/dmrg/framework/dmrg/sim/interface_sim.h +++ b/dmrg/framework/dmrg/sim/interface_sim.h @@ -7,6 +7,7 @@ * 2011-2013 Michele Dolfi * 2014-2014 Sebastian Keller * 2018 Leon Freitag +* 2021 Alberto Baiardi * * This software is part of the ALPS Applications, published under the ALPS * Application License; you can use, redistribute it and/or modify it under @@ -26,8 +27,10 @@ * DEALINGS IN THE SOFTWARE. * *****************************************************************************/ + #ifndef INTERFACE_SIM_H #define INTERFACE_SIM_H + #include #include #include @@ -35,6 +38,7 @@ #include "dmrg/sim/sim.h" #include "dmrg/optimize/optimize.h" +#include "dmrg/evolve/TimeEvolutionSweep.h" #include "dmrg/models/chem/measure_transform.hpp" #include "integral_interface.h" #include "dmrg/utils/results_collector.h" @@ -43,15 +47,16 @@ // The sim class for interface-based DMRG runs and measurements template class interface_sim : public sim, public abstract_interface_sim { - - typedef sim base; - typedef abstract_interface_sim interface_base; - typedef optimizer_base opt_base_t; - typedef typename base::status_type status_type; - typedef typename base::measurements_type measurements_type; - typedef typename interface_base::meas_with_results_type meas_with_results_type; - typedef typename interface_base::results_map_type results_map_type; - + // Types definition + using base = sim; + using interface_base = abstract_interface_sim; + using opt_base_t = optimizer_base; + using status_type = typename base::status_type; + using measurements_type = typename base::measurements_type; + using meas_with_results_type = typename interface_base::meas_with_results_type; + using results_map_type = typename interface_base::results_map_type; + + // Class inheritance from the sim object using base::mps; using base::mpo; using base::parms; @@ -66,38 +71,49 @@ class interface_sim : public sim, public abstract_interface_s public: - interface_sim (DmrgParameters & parms_) - : base(parms_), last_sweep_(init_sweep-1) + /** + * @brief Class constructor + * + * Note that the base class is here the [sim] object, and we call the constructor + * for that object. + * + * @param parms_ parameter container + */ + interface_sim (DmrgParameters & parms_) : base(parms_), last_sweep_(init_sweep-1) { } - void run() + /** + * @brief Wrapper around all the possible operations supported by the simulation object. + */ + void run(std::string runType) { - optimize(); - // or whatever - // throw std::runtime_error("run() shouldn't be called from interface_sim"); + if (runType == "optimize") + optimize(); + else if (runType == "evolve") + evolve(); + else + throw std::runtime_error("run() argument not recognized"); } + /** @brief Runs an optimization calculation */ void optimize() { + // Reads in input parameters int meas_each = parms["measure_each"]; int chkp_each = parms["chkp_each"]; - - /// MPO creation + // MPO creation if (parms["MODEL"] == std::string("quantum_chemistry") && parms["use_compressed"]) throw std::runtime_error("chem compression has been disabled"); MPO mpoc = mpo; if (parms["use_compressed"]) mpoc.compress(1e-12); - - /// Optimizer initialization + // Optimizer initialization std::shared_ptr optimizer; - if (parms["optimization"] == "singlesite") - { + if (parms["optimization"] == "singlesite") { optimizer.reset( new ss_optimize (mps, mpoc, parms, stop_callback, lat, init_site) ); } - else if(parms["optimization"] == "twosite") - { + else if(parms["optimization"] == "twosite") { optimizer.reset( new ts_optimize (mps, mpoc, parms, stop_callback, lat, init_site) ); } @@ -182,40 +198,108 @@ class interface_sim : public sim, public abstract_interface_s } } + /** @brief Runs a propagation calculation */ + //AB For now it's mostly copy-pasted from optimize, should be rewritten in a cleaner way. + void evolve() + { +#ifdef DMRG_TD + // Types definition + using EvolverType = TimeEvolutionSweep; + using SSEvolverType = SingleSiteTimeEvolution; + using TSEvolverType = TwoSiteTimeEvolution; + // Reads in input parameters + int meas_each = parms["measure_each"]; + int chkp_each = parms["chkp_each"]; + // Optimizer initialization + std::shared_ptr evolver; + if (parms["optimization"] == "singlesite") { + evolver = std::make_shared(mps, mpo, parms, stop_callback, init_site); + } + else if(parms["optimization"] == "twosite") { + evolver = std::make_shared(mps, mpo, parms, stop_callback, init_site); + } + else { + throw std::runtime_error("Evolution modality not recognized"); + } + measurements_type always_measurements = this->iteration_measurements(init_sweep); + int nSweeps = parms["nsweeps"]; + try { + for (int sweep=init_sweep; sweep < nSweeps; ++sweep) { + evolver->evolve_sweep(sweep); + storage::disk::sync(); + // Do measurements on the MPS after the time evolution + if ((sweep + 1) % meas_each == 0 || (sweep + 1) == nSweeps) { + // Measure energy + auto energy = evolver->get_energy(); + iteration_results_ = evolver->iteration_results(); + // Measure observables specified in 'always_measure' + if (!rfile().empty()) + { + measurements_type always_measure = this->iteration_measurements(sweep); + if (!parms["ALWAYS_MEASURE"].empty()) + this->measure(this->results_archive_path(sweep) + "/results/", always_measure); + // Write iteration results + { + storage::archive ar(rfile(), "w"); + ar[this->results_archive_path(sweep) + "/results"] << evolver->iteration_results(); + ar[this->results_archive_path(sweep) + "/results/Energy/mean/value"] << std::vector(1, energy); + } + } + } + // Dump data in + last_sweep_ = sweep; + bool stopped = stop_callback(); + if (stopped || (sweep + 1) % chkp_each == 0 || (sweep + 1) == parms["nsweeps"]) + checkpoint_simulation(mps, sweep, -1); + if (stopped) + break; + } + } + catch (dmrg::time_limit const& e) { + maquis::cout << e.what() << " checkpointing partial result." << std::endl; + checkpoint_simulation(mps, e.sweep(), e.site()); + { + iteration_results_ = evolver->iteration_results(); + if (!rfile().empty()) + { + storage::archive ar(rfile(), "w"); + ar[results_archive_path(e.sweep()) + "/parameters"] << parms; + ar[results_archive_path(e.sweep()) + "/results"] << iteration_results_; + // ar[results_archive_path(e.sweep()) + "/results/Runtime/mean/value"] << std::vector(1, elapsed_sweep + elapsed_measure); + } + } + } +#endif // DMRG_TD + } + + /** @brief Runs a measurement calculation */ void run_measure() { if (this->get_last_sweep() < 0) throw std::runtime_error("Tried to measure before a sweep"); this->measure("/spectrum/results/", all_measurements); - - /// MPO creation + // MPO creation MPO mpoc = mpo; if (parms["use_compressed"]) mpoc.compress(1e-12); - double energy; - if (parms["MEASURE[Energy]"]) { energy = maquis::real(expval(mps, mpoc)); maquis::cout << "Energy: " << energy << std::endl; - if (!rfile().empty()) { storage::archive ar(rfile(), "w"); ar["/spectrum/results/Energy/mean/value"] << std::vector(1, energy); } } - if (parms["MEASURE[EnergyVariance]"] > 0) { MPO mpo2 = square_mpo(mpoc); mpo2.compress(1e-12); if (!parms["MEASURE[Energy]"]) energy = maquis::real(expval(mps, mpoc)); double energy2 = maquis::real(expval(mps, mpo2, true)); - maquis::cout << "Energy^2: " << energy2 << std::endl; maquis::cout << "Variance: " << energy2 - energy*energy << std::endl; - if (!rfile().empty()) { storage::archive ar(rfile(), "w"); @@ -267,6 +351,7 @@ class interface_sim : public sim, public abstract_interface_s return ret; } + /** @brief Gets the energy for the mps that is stored in the sim object */ typename Matrix::value_type get_energy() { return expval(mps, mpo); @@ -274,7 +359,7 @@ class interface_sim : public sim, public abstract_interface_s void update_integrals(const chem::integral_map & integrals) { - if (parms.is_set("integral_file")||parms.is_set("integrals")) + if (parms.is_set("integral_file") || parms.is_set("integrals")) throw std::runtime_error("updating integrals in the interface not supported yet in the FCIDUMP format"); parms.set("integrals_binary", chem::serialize(integrals)); @@ -337,6 +422,7 @@ class interface_sim : public sim, public abstract_interface_s return overlap(aux_mps, this->mps); } + /** @brief Getter for the number of sweeps that have been run */ int get_last_sweep() { return last_sweep_; }; ~interface_sim() diff --git a/dmrg/framework/dmrg/utils/DmrgParameters.h b/dmrg/framework/dmrg/utils/DmrgParameters.h index 405bc9629..4c90514b3 100644 --- a/dmrg/framework/dmrg/utils/DmrgParameters.h +++ b/dmrg/framework/dmrg/utils/DmrgParameters.h @@ -91,12 +91,13 @@ class DmrgParameters : public BaseParameters add_option("entanglement_spectra", "", value(0)); add_option("conv_thresh", "energy convergence threshold to stop the simulation", value(-1)); - add_option("expm_method", "algorithm used for exp(-i H dt): heev (default), geev", value("heev")); - add_option("te_type", "time evolution algorithm: nn (default), mpo", value("nn")); - add_option("te_optim", "optimized nn time evolution", value(true)); - add_option("te_order", "trotter decomposition: second, fourth (default)", value("fourth")); - add_option("dt", "time step in time eovlution", value(1e-3)); - add_option("nsweeps_img", "number of imaginary time steps", value(0)); + // TD-related parameters + add_option("propagator_accuracy", "Accuracy of the iterative approximation of the time-evolution operator", value(1.0E-10)); + add_option("time_step", "Time-step for the TD-DMRG propagation"); + add_option("hamiltonian_units", "Units in which the SQ Hamiltonian is expressed", value("Hartree")); + add_option("time_units", "Units in which the time-step is expressed"); + add_option("imaginary_time", "Equal to yes for iTD-DMRG, no for TD-DMRG", value("no")); + add_option("TD_backpropagation", "Equal to yes if the back-propagation step should be done, no otherwise", value("yes")); add_option("ngrainings", "", value(0)); add_option("finegrain_optim", "", value(false)); @@ -112,7 +113,7 @@ class DmrgParameters : public BaseParameters add_option("model_file", "path to model parameters", value("")); add_option("integral_cutoff", "Ignore electron integrals below a certain magnitude", value(0)); - //Default values for lattice, model etc. for quantum chemistry calculations + // Default values for lattice, model etc. for quantum chemistry calculations add_option("LATTICE", "", value("orbitals")); add_option("CONSERVED_QUANTUMNUMBERS", "", value("Nup,Ndown")); add_option("MODEL","", value("quantum_chemistry")); diff --git a/dmrg/framework/utils/traits.hpp b/dmrg/framework/utils/traits.hpp index 53a9ee672..96dc1ae33 100644 --- a/dmrg/framework/utils/traits.hpp +++ b/dmrg/framework/utils/traits.hpp @@ -20,6 +20,7 @@ namespace maquis { namespace traits { template const std::complex imag_identity >::value = std::complex(0,1); template struct transpose_view { typedef Matrix type; }; + template struct adjoint_view { typedef Matrix type; }; } } diff --git a/dmrg/lib/maquis_dmrg/CMakeLists.txt b/dmrg/lib/maquis_dmrg/CMakeLists.txt index f6fd6b6ec..bc6fe28f7 100644 --- a/dmrg/lib/maquis_dmrg/CMakeLists.txt +++ b/dmrg/lib/maquis_dmrg/CMakeLists.txt @@ -18,8 +18,9 @@ add_library(maquis_dmrg SHARED ${DMRG_SYMM_SOURCES} maquis_dmrg.cpp maquis_cinte set_property(TARGET maquis_dmrg PROPERTY POSITION_INDEPENDENT_CODE TRUE) if(APPLE) target_link_libraries(maquis_dmrg ${DMRG_APP_LIBRARIES} "-framework Accelerate") -else() +# else() # target_link_libraries(maquis_dmrg ${DMRG_APP_LIBRARIES}) +# target_link_libraries(maquis_dmrg Eigen3::Eigen) endif() # *** Install diff --git a/dmrg/lib/maquis_dmrg/maquis_dmrg.cpp b/dmrg/lib/maquis_dmrg/maquis_dmrg.cpp index 11f352575..ba6afe355 100644 --- a/dmrg/lib/maquis_dmrg/maquis_dmrg.cpp +++ b/dmrg/lib/maquis_dmrg/maquis_dmrg.cpp @@ -7,7 +7,8 @@ * 2011-2013 Michele Dolfi * 2014-2014 Sebastian Keller * 2018-2019 Leon Freitag -* 2020- by Robin Feldmann +* 2020- Robin Feldmann +* 2021- Alberto Baiardi * * This software is part of the ALPS Applications, published under the ALPS * Application License; you can use, redistribute it and/or modify it under @@ -38,11 +39,11 @@ namespace maquis { #if defined(HAVE_SU2U1PG) - typedef SU2U1PG SU2U1grp; - typedef TwoU1PG TwoU1grp; + typedef SU2U1PG SU2U1grp; + typedef TwoU1PG TwoU1grp; #elif defined(HAVE_SU2U1) - typedef SU2U1 SU2U1grp; - typedef TwoU1 TwoU1grp; + typedef SU2U1 SU2U1grp; + typedef TwoU1 TwoU1grp; #endif template @@ -70,16 +71,27 @@ namespace maquis template void DMRGInterface::optimize() { - try - { + try { //std::cout << "start optimization inside interface --> " < " << std::endl; //std::cout << parms << std::endl; //sim->run(); - impl_->sim->run(); + impl_->sim->run("optimize"); } - catch (std::exception & e) - { + catch (std::exception & e) { + maquis::cerr << "Exception thrown!" << std::endl; + maquis::cerr << e.what() << std::endl; + exit(1); + } + } + + template + void DMRGInterface::evolve() + { + try { + impl_->sim->run("evolve"); + } + catch (std::exception & e) { maquis::cerr << "Exception thrown!" << std::endl; maquis::cerr << e.what() << std::endl; exit(1); diff --git a/dmrg/lib/maquis_dmrg/maquis_dmrg.h b/dmrg/lib/maquis_dmrg/maquis_dmrg.h index d46ea6c4c..40367389e 100644 --- a/dmrg/lib/maquis_dmrg/maquis_dmrg.h +++ b/dmrg/lib/maquis_dmrg/maquis_dmrg.h @@ -33,80 +33,93 @@ using chem::Hamiltonian; -namespace maquis +namespace maquis { + +// Types for measurement results +// meas_with_results_type: one measurement = pair of vectors with labels and results +template +using meas_with_results_type = std::pair >, std::vector >; + +// All measurements -- a map with measurement names as keys and results as values +template +using results_map_type = std::map >; + +template // real or complex +class DMRGInterface { +public: + typedef maquis::meas_with_results_type meas_with_results_type; + typedef maquis::results_map_type results_map_type; + + /** @brief Class constructor */ + DMRGInterface(DmrgParameters& parms_); + + /** @brief Class destructor */ + ~DMRGInterface(); + + /** @brief Run a DMRG optimization */ + void optimize(); + + /** @brief Run a DMRG propagation */ + void evolve(); + + /** @brief Gets the energy at the end of the simulation */ + V energy(); + + /** @brief Getter for an obtject storing the statistics of the optimization */ + results_collector& get_iteration_results(); + + /** @brief Gets how many sweeps have been run */ + int get_last_sweep(); + + // Run dmrg_meas (measure all measurements and save them to a HDF5 file specified in parameters) + // Do not store the measurements in a map. + void run_measure(); + + // Run all measurements and save them as a map + // Currently, all measurements must be added via parameters first, and then measure() may be executed + // In the future, we should support single measurements directly from the interface + void measure(); + + /** @brief Getter for the measurements */ + const results_map_type & measurements(); + + /** @brief Updates the integrals and re-initialize the model */ + void update_integrals(const integral_map & integrals); + + // Get RDMs + // TODO: This does not work for 2U1/2U1PG symmetry because "oneptdm" measurement is not recognised by the model! + // Fix the model to recognise it! + const meas_with_results_type & onerdm(); + const meas_with_results_type & onespdm(); + const meas_with_results_type & twordm(); + const meas_with_results_type & threerdm(); + const meas_with_results_type & fourrdm(); + + // Measure 3 and 4-RDM (for now in 2U1), and save it into the corresponding (SU2U1) result file (which should be set with parms["rfile"]) + void measure_and_save_3rdm(); + void measure_and_save_4rdm(); + + /** @brief Getter for the mutual information */ + const meas_with_results_type& mutinf(); + + // The same for transition 3-RDM. bra_name provides the name of the bra checkpoint + // (doesn't matter if it is in SU2U1 or 2U1, as in the former case it will be transformed) + void measure_and_save_trans3rdm(const std::string & bra_name); + + // Load an MPS from a given checkpoint and measure the overlap with the current MPS + V overlap(const std::string& aux_mps_name); + + // Dump parameters into text file + void dump_parameters(const std::string & file); + +private: + DmrgParameters& parms; + results_map_type measurements_; + struct Impl; + std::unique_ptr impl_; +}; + +} // maquis - // Types for measurement results - // meas_with_results_type: one measurement = pair of vectors with labels and results - template - using meas_with_results_type = std::pair >, std::vector >; - - // All measurements -- a map with measurement names as keys and results as values - template - using results_map_type = std::map >; - - template // real or complex - class DMRGInterface - { - public: - typedef maquis::meas_with_results_type meas_with_results_type; - typedef maquis::results_map_type results_map_type; - - DMRGInterface(DmrgParameters& parms_); - ~DMRGInterface(); - - // Run DMRG optimization - void optimize(); - // Get energy after the optimization - V energy(); - - // Get sweep statistics - results_collector& get_iteration_results(); - int get_last_sweep(); - - // Run dmrg_meas (measure all measurements and save them to a HDF5 file specified in parameters) - // Do not store the measurements in a map - void run_measure(); - - // Run all measurements and save them as a map - // Currently, all measurements must be added via parameters first, and then measure() may be executed - // In the future, we should support single measurements directly from the interface - void measure(); - - const results_map_type & measurements(); - - //update the integrals and re-initialize the model - void update_integrals(const integral_map & integrals); - - // Get RDMs - // TODO: This does not work for 2U1/2U1PG symmetry because "oneptdm" measurement is not recognised by the model! - // Fix the model to recognise it! - const meas_with_results_type & mutinf(); - const meas_with_results_type & onerdm(); - const meas_with_results_type & onespdm(); - const meas_with_results_type & twordm(); - const meas_with_results_type & threerdm(); - const meas_with_results_type & fourrdm(); - - // Measure 3 and 4-RDM (for now in 2U1), and save it into the corresponding (SU2U1) result file (which should be set with parms["rfile"]) - void measure_and_save_3rdm(); - void measure_and_save_4rdm(); - - // The same for transition 3-RDM. bra_name provides the name of the bra checkpoint - // (doesn't matter if it is in SU2U1 or 2U1, as in the former case it will be transformed) - void measure_and_save_trans3rdm(const std::string & bra_name); - - // Load an MPS from a given checkpoint and measure the overlap with the current MPS - V overlap(const std::string& aux_mps_name); - - // Dump parameters into text file - void dump_parameters(const std::string & file); - private: - DmrgParameters& parms; - results_map_type measurements_; - - struct Impl; - std::unique_ptr impl_; - }; -} #endif diff --git a/dmrg/tests/CMakeLists.txt b/dmrg/tests/CMakeLists.txt index 3a811d2ed..50941c948 100644 --- a/dmrg/tests/CMakeLists.txt +++ b/dmrg/tests/CMakeLists.txt @@ -11,6 +11,13 @@ target_link_libraries(test1 ${DMRG_APP_LIBRARIES}) add_executable(test2 test2.cpp) target_link_libraries(test2 ${DMRG_APP_LIBRARIES}) +if(BUILD_DMRG_EVOLVE) + add_executable(test_imaginarytime test_imaginarytime.cpp) + target_link_libraries(test_imaginarytime ${DMRG_APP_LIBRARIES}) + add_executable(test_realtime test_realtime.cpp) + target_link_libraries(test_realtime ${DMRG_APP_LIBRARIES}) +endif(BUILD_DMRG_EVOLVE) + if(BUILD_PREBO) add_executable(prebo_test1 prebo_test1.cpp) target_link_libraries(prebo_test1 ${DMRG_APP_LIBRARIES}) @@ -37,6 +44,9 @@ target_link_libraries(test_hirdm ${DMRG_APP_LIBRARIES}) add_executable(test_mps_mpo_ops test_mps_mpo_ops/test_mps_mpo_ops.cpp) target_link_libraries(test_mps_mpo_ops ${DMRG_APP_LIBRARIES}) +add_executable(test_siteproblem test_mps_mpo_ops/test_siteproblem.cpp) +target_link_libraries(test_siteproblem ${DMRG_APP_LIBRARIES}) + add_executable(test_mpsjoin test_mps_mpo_ops/mpsjoin.cpp) target_link_libraries(test_mpsjoin ${DMRG_APP_LIBRARIES}) @@ -46,3 +56,14 @@ target_link_libraries(test_wigner ${DMRG_APP_LIBRARIES}) # -- Unit tests -- add_executable(test_block_matrix block_matrix/block_matrix.cpp) target_link_libraries(test_block_matrix ${DMRG_APP_LIBRARIES}) + +if(BUILD_DMRG_EVOLVE) + add_executable(test_time_evolvers TimeEvolvers/TimeEvolvers.cpp) + target_link_libraries(test_time_evolvers ${DMRG_APP_LIBRARIES}) + + add_executable(test_site_shifter TimeEvolvers/SiteShifter.cpp) + target_link_libraries(test_site_shifter ${DMRG_APP_LIBRARIES}) + + add_executable(test_time_evolution_sweep TimeEvolvers/TimeEvolutionSweep.cpp) + target_link_libraries(test_time_evolution_sweep ${DMRG_APP_LIBRARIES}) +endif(BUILD_DMRG_EVOLVE) diff --git a/dmrg/tests/Fixtures/BenzeneFixture.h b/dmrg/tests/Fixtures/BenzeneFixture.h new file mode 100644 index 000000000..48c06a3b0 --- /dev/null +++ b/dmrg/tests/Fixtures/BenzeneFixture.h @@ -0,0 +1,638 @@ +/***************************************************************************** +* +* ALPS MPS DMRG Project +* +* Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich +* 2021- by Alberto Baiardi +* +* This software is part of the ALPS Applications, published under the ALPS +* Application License; you can use, redistribute it and/or modify it under +* the terms of the license, either version 1 or (at your option) any later +* version. +* +* You should have received a copy of the ALPS Application License along with +* the ALPS Applications; see the file LICENSE.txt. If not, the license is also +* available from http://alps.comp-phys.org/. +* +* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +* FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT +* SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE +* FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, +* ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +* DEALINGS IN THE SOFTWARE. +* +*****************************************************************************/ + +#ifndef TEST_BENZENE_FIXTURE_H +#define TEST_BENZENE_FIXTURE_H + +#include "maquis_dmrg.h" +#include "dmrg/block_matrix/symmetry.h" + + +/** + * @brief Fixture class for benzene. + * + * The data are obtained for CAS(6, 6) and based on the cc-pVDZ basis set + * with PySCF. The reference geometry is (in Angstrom): + * + * H -2.052975 1.411487 0.000000 + * C -1.152544 0.792409 0.000000 + * C -1.262520 -0.601926 0.000000 + * H -2.248873 -1.072186 0.000000 + * C -0.109975 -1.394334 0.000000 + * H -0.195893 -2.483671 0.000000 + * C 1.152544 -0.792409 0.000000 + * H 2.052975 -1.411487 0.000000 + * C 1.262520 0.601926 0.000000 + * H 2.248872 1.072186 0.000000 + * C 0.109975 1.394334 0.000000 + * H 0.195893 2.483671 0.000000 + */ +struct BenzeneFixture +{ + // Types definition + using RealIntegralMapType = typename maquis::integral_map; + using ComplexIntegralMapType = typename maquis::integral_map>; + /** @brief Constructor for the fixture class */ + BenzeneFixture() { + // Real-valued integrals + integralsReal = RealIntegralMapType { { { 1, 1, 1, 1}, 2.967428280942713e-01 }, + { { 2, 1, 1, 1}, 2.969964921855469e-17 }, + { { 2, 1, 2, 1}, 5.946430964447179e-03 }, + { { 2, 2, 1, 1}, 2.722543071522927e-01 }, + { { 2, 2, 2, 1}, 2.896226587366634e-17 }, + { { 2, 2, 2, 2}, 3.175879722281359e-01 }, + { { 3, 1, 1, 1}, -3.173158343895392e-18 }, + { { 3, 1, 2, 1}, 3.164363721187413e-04 }, + { { 3, 1, 2, 2}, -1.206042193772940e-17 }, + { { 3, 1, 3, 1}, 4.584176508435104e-03 }, + { { 3, 2, 1, 1}, -3.475223066470779e-04 }, + { { 3, 2, 2, 1}, -5.148945172142986e-18 }, + { { 3, 2, 2, 2}, 1.031095396370024e-08 }, + { { 3, 2, 3, 1}, -3.525132029200314e-18 }, + { { 3, 2, 3, 2}, 2.262519930106974e-02 }, + { { 3, 3, 1, 1}, 2.737504291952448e-01 }, + { { 3, 3, 2, 1}, 2.661055073595147e-17 }, + { { 3, 3, 2, 2}, 2.723375398719879e-01 }, + { { 3, 3, 3, 1}, -6.302110990253676e-18 }, + { { 3, 3, 3, 2}, -4.364477160743517e-08 }, + { { 3, 3, 3, 3}, 3.175879928614845e-01 }, + { { 4, 1, 1, 1}, -1.989745198935249e-17 }, + { { 4, 1, 2, 1}, -1.495538973216875e-09 }, + { { 4, 1, 2, 2}, 1.909327508926614e-16 }, + { { 4, 1, 3, 1}, -1.467128229984753e-09 }, + { { 4, 1, 3, 2}, 2.269372531806393e-16 }, + { { 4, 1, 3, 3}, -2.048263894578430e-16 }, + { { 4, 1, 4, 1}, 5.535822698071859e-03 }, + { { 4, 2, 1, 1}, -1.671627836331472e-08 }, + { { 4, 2, 2, 1}, 3.942136324303707e-16 }, + { { 4, 2, 2, 2}, -1.048396910234631e-10 }, + { { 4, 2, 3, 1}, 4.249333535577798e-16 }, + { { 4, 2, 3, 2}, 1.685359484388458e-09 }, + { { 4, 2, 3, 3}, 1.884570357761074e-09 }, + { { 4, 2, 4, 1}, -6.529538829354937e-18 }, + { { 4, 2, 4, 2}, 4.882384825736743e-02 }, + { { 4, 3, 1, 1}, -1.632784870308076e-08 }, + { { 4, 3, 2, 1}, 4.728061386828914e-16 }, + { { 4, 3, 2, 2}, 8.697996010556237e-10 }, + { { 4, 3, 3, 1}, -4.056750568196405e-16 }, + { { 4, 3, 3, 2}, 1.510556886745833e-09 }, + { { 4, 3, 3, 3}, -1.682110739404823e-09 }, + { { 4, 3, 4, 1}, -3.400912078277603e-17 }, + { { 4, 3, 4, 2}, 6.862144027519780e-03 }, + { { 4, 3, 4, 3}, 6.219635312624117e-02 }, + { { 4, 4, 1, 1}, 2.642269326179048e-01 }, + { { 4, 4, 2, 1}, 2.189488798027102e-17 }, + { { 4, 4, 2, 2}, 2.717023414281122e-01 }, + { { 4, 4, 3, 1}, -1.093714887458270e-17 }, + { { 4, 4, 3, 2}, 9.027539271050371e-03 }, + { { 4, 4, 3, 3}, 2.892946950886859e-01 }, + { { 4, 4, 4, 1}, 8.498805805090058e-18 }, + { { 4, 4, 4, 2}, -7.066219633472216e-10 }, + { { 4, 4, 4, 3}, -1.180161307956590e-09 }, + { { 4, 4, 4, 4}, 2.826532153350965e-01 }, + { { 5, 1, 1, 1}, 5.440349884008000e-17 }, + { { 5, 1, 2, 1}, -1.745107410043142e-10 }, + { { 5, 1, 2, 2}, 2.649660507772337e-16 }, + { { 5, 1, 3, 1}, 7.635325167581036e-11 }, + { { 5, 1, 3, 2}, -2.096304511957389e-16 }, + { { 5, 1, 3, 3}, -1.556185149821082e-16 }, + { { 5, 1, 4, 1}, 1.109228562777380e-03 }, + { { 5, 1, 4, 2}, 7.711016843213593e-18 }, + { { 5, 1, 4, 3}, -1.988336281019004e-17 }, + { { 5, 1, 4, 4}, -1.256381852169217e-16 }, + { { 5, 1, 5, 1}, 4.757272376368334e-03 }, + { { 5, 2, 1, 1}, -6.968670735150717e-09 }, + { { 5, 2, 2, 1}, 4.541606689865640e-16 }, + { { 5, 2, 2, 2}, 1.193896271322356e-09 }, + { { 5, 2, 3, 1}, -3.957842299807808e-16 }, + { { 5, 2, 3, 2}, 2.461790318131035e-10 }, + { { 5, 2, 3, 3}, -1.867388900287247e-09 }, + { { 5, 2, 4, 1}, -2.116343010927644e-17 }, + { { 5, 2, 4, 2}, -6.862089706190379e-03 }, + { { 5, 2, 4, 3}, 2.086701653055485e-02 }, + { { 5, 2, 4, 4}, -6.942713935776281e-10 }, + { { 5, 2, 5, 1}, -1.694686595881941e-17 }, + { { 5, 2, 5, 2}, 6.219624511220317e-02 }, + { { 5, 3, 1, 1}, 1.165617282832503e-08 }, + { { 5, 3, 2, 1}, -3.902602652267072e-16 }, + { { 5, 3, 2, 2}, 1.812442935324067e-10 }, + { { 5, 3, 3, 1}, -4.217167642303603e-16 }, + { { 5, 3, 3, 2}, -2.562826006786915e-09 }, + { { 5, 3, 3, 3}, -1.666132144742845e-09 }, + { { 5, 3, 4, 1}, -3.282010350762784e-18 }, + { { 5, 3, 4, 2}, -3.423956466727348e-02 }, + { { 5, 3, 4, 3}, 6.862133738505061e-03 }, + { { 5, 3, 4, 4}, 1.678495333324980e-11 }, + { { 5, 3, 5, 1}, -5.080408648968361e-18 }, + { { 5, 3, 5, 2}, -6.862120910692725e-03 }, + { { 5, 3, 5, 3}, 4.882380746267395e-02 }, + { { 5, 4, 1, 1}, 3.082887836455720e-03 }, + { { 5, 4, 2, 1}, 2.515313447907718e-18 }, + { { 5, 4, 2, 2}, -9.027510512652829e-03 }, + { { 5, 4, 3, 1}, -1.550776903259978e-18 }, + { { 5, 4, 3, 2}, -8.796198840613693e-03 }, + { { 5, 4, 3, 3}, 9.027607652432070e-03 }, + { { 5, 4, 4, 1}, -1.677956947224575e-16 }, + { { 5, 4, 4, 2}, -4.281630205893954e-10 }, + { { 5, 4, 4, 3}, -8.633840182725674e-11 }, + { { 5, 4, 4, 4}, 1.764153989938785e-08 }, + { { 5, 4, 5, 1}, -1.427130323728534e-17 }, + { { 5, 4, 5, 2}, 7.472321416518491e-10 }, + { { 5, 4, 5, 3}, 7.135080851056829e-10 }, + { { 5, 4, 5, 4}, 1.283221819015752e-02 }, + { { 5, 5, 1, 1}, 2.620630668050980e-01 }, + { { 5, 5, 2, 1}, 2.658171661756130e-17 }, + { { 5, 5, 2, 2}, 2.892946271244188e-01 }, + { { 5, 5, 3, 1}, -3.923904901672728e-18 }, + { { 5, 5, 3, 2}, -9.027549395694940e-03 }, + { { 5, 5, 3, 3}, 2.717022779416238e-01 }, + { { 5, 5, 4, 1}, -2.513197725008849e-17 }, + { { 5, 5, 4, 2}, 2.876053345100726e-10 }, + { { 5, 5, 4, 3}, 1.225930450314287e-09 }, + { { 5, 5, 4, 4}, 2.569887460898106e-01 }, + { { 5, 5, 5, 1}, 2.426388841452769e-16 }, + { { 5, 5, 5, 2}, 1.855925414396875e-09 }, + { { 5, 5, 5, 3}, 4.039196523945892e-10 }, + { { 5, 5, 5, 4}, 4.309124041346849e-08 }, + { { 5, 5, 5, 5}, 2.826531131445985e-01 }, + { { 6, 1, 1, 1}, 2.631663100300740e-03 }, + { { 6, 1, 2, 1}, 6.224377364763227e-20 }, + { { 6, 1, 2, 2}, -9.638056482124322e-04 }, + { { 6, 1, 3, 1}, 1.630338873762026e-18 }, + { { 6, 1, 3, 2}, -1.628273650960630e-04 }, + { { 6, 1, 3, 3}, 9.636793761281449e-04 }, + { { 6, 1, 4, 1}, -1.648362745908853e-17 }, + { { 6, 1, 4, 2}, -2.035740132956974e-09 }, + { { 6, 1, 4, 3}, -2.527458462113691e-09 }, + { { 6, 1, 4, 4}, -5.425386974630890e-04 }, + { { 6, 1, 5, 1}, -2.958908872433561e-18 }, + { { 6, 1, 5, 2}, 2.068661571894794e-09 }, + { { 6, 1, 5, 3}, 1.438620209960353e-09 }, + { { 6, 1, 5, 4}, -7.844370974891291e-04 }, + { { 6, 1, 5, 5}, 5.424370903468271e-04 }, + { { 6, 1, 6, 1}, 6.055763564239812e-03 }, + { { 6, 2, 1, 1}, 5.102465971267154e-18 }, + { { 6, 2, 2, 1}, -1.819590169527630e-04 }, + { { 6, 2, 2, 2}, -1.396890814562340e-18 }, + { { 6, 2, 3, 1}, -3.074139985838995e-05 }, + { { 6, 2, 3, 2}, -1.445743601536327e-19 }, + { { 6, 2, 3, 3}, 1.239115291654653e-17 }, + { { 6, 2, 4, 1}, -7.807412876528190e-10 }, + { { 6, 2, 4, 2}, 1.393536734087840e-16 }, + { { 6, 2, 4, 3}, -5.778772309473631e-17 }, + { { 6, 2, 4, 4}, 7.836718514625554e-18 }, + { { 6, 2, 5, 1}, 1.065243773379192e-09 }, + { { 6, 2, 5, 2}, -2.129553232785682e-16 }, + { { 6, 2, 5, 3}, -6.392171248830596e-17 }, + { { 6, 2, 5, 4}, 1.549183020925688e-18 }, + { { 6, 2, 5, 5}, -6.219425012294147e-18 }, + { { 6, 2, 6, 1}, 3.073885713884841e-18 }, + { { 6, 2, 6, 2}, 1.890205019918717e-03 }, + { { 6, 3, 1, 1}, -1.699947997083976e-17 }, + { { 6, 3, 2, 1}, -3.074145122554928e-05 }, + { { 6, 3, 2, 2}, -1.298284921205725e-18 }, + { { 6, 3, 3, 1}, 1.819563272403293e-04 }, + { { 6, 3, 3, 2}, 1.029160227345768e-17 }, + { { 6, 3, 3, 3}, -4.886763895153592e-17 }, + { { 6, 3, 4, 1}, -9.355455304012666e-10 }, + { { 6, 3, 4, 2}, 1.231123123475001e-16 }, + { { 6, 3, 4, 3}, 1.252434029332162e-16 }, + { { 6, 3, 4, 4}, -2.529793632445032e-17 }, + { { 6, 3, 5, 1}, 5.477012905596020e-10 }, + { { 6, 3, 5, 2}, 8.068320851725660e-17 }, + { { 6, 3, 5, 3}, -1.373108881981956e-16 }, + { { 6, 3, 5, 4}, -1.696954363660787e-17 }, + { { 6, 3, 5, 5}, -1.153722125274092e-17 }, + { { 6, 3, 6, 1}, -1.978634177911281e-18 }, + { { 6, 3, 6, 2}, -3.919095149569737e-10 }, + { { 6, 3, 6, 3}, 1.890207715675752e-03 }, + { { 6, 4, 1, 1}, 1.298960824956743e-16 }, + { { 6, 4, 2, 1}, -1.481982718889963e-10 }, + { { 6, 4, 2, 2}, 2.127616832427987e-16 }, + { { 6, 4, 3, 1}, -1.154293852406009e-09 }, + { { 6, 4, 3, 2}, 5.839292213298683e-17 }, + { { 6, 4, 3, 3}, 1.933670205823620e-16 }, + { { 6, 4, 4, 1}, -5.802813186036677e-04 }, + { { 6, 4, 4, 2}, 7.594925587837616e-18 }, + { { 6, 4, 4, 3}, -3.467090493212242e-17 }, + { { 6, 4, 4, 4}, 2.127446037230972e-16 }, + { { 6, 4, 5, 1}, -8.390840300295623e-04 }, + { { 6, 4, 5, 2}, -3.057257516582584e-17 }, + { { 6, 4, 5, 3}, -6.405743577848378e-18 }, + { { 6, 4, 5, 4}, -4.261175125141899e-17 }, + { { 6, 4, 5, 5}, 1.421291857472134e-16 }, + { { 6, 4, 6, 1}, 3.542972452025696e-19 }, + { { 6, 4, 6, 2}, -2.364603922809194e-09 }, + { { 6, 4, 6, 3}, -1.719231650888553e-09 }, + { { 6, 4, 6, 4}, 1.971724270342512e-03 }, + { { 6, 5, 1, 1}, -2.142746852054905e-16 }, + { { 6, 5, 2, 1}, 5.115653745726280e-10 }, + { { 6, 5, 2, 2}, -3.186020043372467e-16 }, + { { 6, 5, 3, 1}, 2.147536164173234e-10 }, + { { 6, 5, 3, 2}, 1.221408764874572e-17 }, + { { 6, 5, 3, 3}, -2.500576876296655e-16 }, + { { 6, 5, 4, 1}, -8.390829334376343e-04 }, + { { 6, 5, 4, 2}, 3.937364880200516e-18 }, + { { 6, 5, 4, 3}, -5.494607786135451e-17 }, + { { 6, 5, 4, 4}, -2.240902049694371e-16 }, + { { 6, 5, 5, 1}, 5.802785179335574e-04 }, + { { 6, 5, 5, 2}, -5.248958818821123e-17 }, + { { 6, 5, 5, 3}, -6.766716033467935e-18 }, + { { 6, 5, 5, 4}, 9.342675532753205e-18 }, + { { 6, 5, 5, 5}, -2.800288693026123e-16 }, + { { 6, 5, 6, 1}, -2.032172987903960e-17 }, + { { 6, 5, 6, 2}, 1.032533522382955e-09 }, + { { 6, 5, 6, 3}, 1.064372562740758e-09 }, + { { 6, 5, 6, 4}, -2.542366000646875e-09 }, + { { 6, 5, 6, 5}, 1.971723484078854e-03 }, + { { 6, 6, 1, 1}, 1.952202762692218e-01 }, + { { 6, 6, 2, 1}, 2.155054406648054e-17 }, + { { 6, 6, 2, 2}, 1.891227638325250e-01 }, + { { 6, 6, 3, 1}, -3.243782824589452e-18 }, + { { 6, 6, 3, 2}, -1.879813794021930e-08 }, + { { 6, 6, 3, 3}, 1.891227924267158e-01 }, + { { 6, 6, 4, 1}, -1.077338050213139e-17 }, + { { 6, 6, 4, 2}, -4.225546863395859e-08 }, + { { 6, 6, 4, 3}, -1.355247900841925e-08 }, + { { 6, 6, 4, 4}, 1.864482414414094e-01 }, + { { 6, 6, 5, 1}, 5.577100445733816e-18 }, + { { 6, 6, 5, 2}, -3.321005838007971e-09 }, + { { 6, 6, 5, 3}, 3.716759336924121e-08 }, + { { 6, 6, 5, 4}, 1.488782808378513e-08 }, + { { 6, 6, 5, 5}, 1.864482255600531e-01 }, + { { 6, 6, 6, 1}, -7.206726426307847e-09 }, + { { 6, 6, 6, 2}, -1.082428840993529e-17 }, + { { 6, 6, 6, 3}, 5.209415495881623e-18 }, + { { 6, 6, 6, 4}, 3.630204906262037e-17 }, + { { 6, 6, 6, 5}, -4.313350908410745e-17 }, + { { 6, 6, 6, 6}, 1.719259391704756e-01 }, + { { 1, 1, 0, 0}, -1.867961552457981e+00 }, + { { 2, 1, 0, 0}, -2.675007513144858e-16 }, + { { 2, 2, 0, 0}, -1.711392372950691e+00 }, + { { 3, 1, 0, 0}, 1.217146205777283e-17 }, + { { 3, 2, 0, 0}, 1.011514696979148e-03 }, + { { 3, 3, 0, 0}, -1.715746103836916e+00 }, + { { 4, 1, 0, 0}, 1.527076051299609e-16 }, + { { 4, 2, 0, 0}, 2.755630512726676e-08 }, + { { 4, 3, 0, 0}, 3.327070520805844e-08 }, + { { 4, 4, 0, 0}, -1.397793464577142e+00 }, + { { 5, 1, 0, 0}, -1.840074828073842e-16 }, + { { 5, 2, 0, 0}, 1.391697881671605e-08 }, + { { 5, 3, 0, 0}, -1.935433786776145e-08 }, + { { 5, 4, 0, 0}, -5.056697225955007e-03 }, + { { 5, 5, 0, 0}, -1.394243819429660e+00 }, + { { 6, 1, 0, 0}, -2.631413234031944e-03 }, + { { 6, 2, 0, 0}, -5.010241260238798e-17 }, + { { 6, 3, 0, 0}, 2.105003050445408e-16 }, + { { 6, 4, 0, 0}, -9.495930169099137e-16 }, + { { 6, 5, 0, 0}, 1.384475428446221e-15 }, + { { 6, 6, 0, 0}, -9.560291253543524e-01 }, + { { 0, 0, 0, 0}, -2.242700318175063e+02 } }; + // Complex-valued integrals + integralsComplex = ComplexIntegralMapType { { { 1, 1, 1, 1}, { 2.967428280942713e-01 , 0. } }, + { { 2, 1, 1, 1}, { 2.969964921855469e-17 , 0. } }, + { { 2, 1, 2, 1}, { 5.946430964447179e-03 , 0. } }, + { { 2, 2, 1, 1}, { 2.722543071522927e-01 , 0. } }, + { { 2, 2, 2, 1}, { 2.896226587366634e-17 , 0. } }, + { { 2, 2, 2, 2}, { 3.175879722281359e-01 , 0. } }, + { { 3, 1, 1, 1}, { -3.173158343895392e-18 , 0. } }, + { { 3, 1, 2, 1}, { 3.164363721187413e-04 , 0. } }, + { { 3, 1, 2, 2}, { -1.206042193772940e-17 , 0. } }, + { { 3, 1, 3, 1}, { 4.584176508435104e-03 , 0. } }, + { { 3, 2, 1, 1}, { -3.475223066470779e-04 , 0. } }, + { { 3, 2, 2, 1}, { -5.148945172142986e-18 , 0. } }, + { { 3, 2, 2, 2}, { 1.031095396370024e-08 , 0. } }, + { { 3, 2, 3, 1}, { -3.525132029200314e-18 , 0. } }, + { { 3, 2, 3, 2}, { 2.262519930106974e-02 , 0. } }, + { { 3, 3, 1, 1}, { 2.737504291952448e-01 , 0. } }, + { { 3, 3, 2, 1}, { 2.661055073595147e-17 , 0. } }, + { { 3, 3, 2, 2}, { 2.723375398719879e-01 , 0. } }, + { { 3, 3, 3, 1}, { -6.302110990253676e-18 , 0. } }, + { { 3, 3, 3, 2}, { -4.364477160743517e-08 , 0. } }, + { { 3, 3, 3, 3}, { 3.175879928614845e-01 , 0. } }, + { { 4, 1, 1, 1}, { -1.989745198935249e-17 , 0. } }, + { { 4, 1, 2, 1}, { -1.495538973216875e-09 , 0. } }, + { { 4, 1, 2, 2}, { 1.909327508926614e-16 , 0. } }, + { { 4, 1, 3, 1}, { -1.467128229984753e-09 , 0. } }, + { { 4, 1, 3, 2}, { 2.269372531806393e-16 , 0. } }, + { { 4, 1, 3, 3}, { -2.048263894578430e-16 , 0. } }, + { { 4, 1, 4, 1}, { 5.535822698071859e-03 , 0. } }, + { { 4, 2, 1, 1}, { -1.671627836331472e-08 , 0. } }, + { { 4, 2, 2, 1}, { 3.942136324303707e-16 , 0. } }, + { { 4, 2, 2, 2}, { -1.048396910234631e-10 , 0. } }, + { { 4, 2, 3, 1}, { 4.249333535577798e-16 , 0. } }, + { { 4, 2, 3, 2}, { 1.685359484388458e-09 , 0. } }, + { { 4, 2, 3, 3}, { 1.884570357761074e-09 , 0. } }, + { { 4, 2, 4, 1}, { -6.529538829354937e-18 , 0. } }, + { { 4, 2, 4, 2}, { 4.882384825736743e-02 , 0. } }, + { { 4, 3, 1, 1}, { -1.632784870308076e-08 , 0. } }, + { { 4, 3, 2, 1}, { 4.728061386828914e-16 , 0. } }, + { { 4, 3, 2, 2}, { 8.697996010556237e-10 , 0. } }, + { { 4, 3, 3, 1}, { -4.056750568196405e-16 , 0. } }, + { { 4, 3, 3, 2}, { 1.510556886745833e-09 , 0. } }, + { { 4, 3, 3, 3}, { -1.682110739404823e-09 , 0. } }, + { { 4, 3, 4, 1}, { -3.400912078277603e-17 , 0. } }, + { { 4, 3, 4, 2}, { 6.862144027519780e-03 , 0. } }, + { { 4, 3, 4, 3}, { 6.219635312624117e-02 , 0. } }, + { { 4, 4, 1, 1}, { 2.642269326179048e-01 , 0. } }, + { { 4, 4, 2, 1}, { 2.189488798027102e-17 , 0. } }, + { { 4, 4, 2, 2}, { 2.717023414281122e-01 , 0. } }, + { { 4, 4, 3, 1}, { -1.093714887458270e-17 , 0. } }, + { { 4, 4, 3, 2}, { 9.027539271050371e-03 , 0. } }, + { { 4, 4, 3, 3}, { 2.892946950886859e-01 , 0. } }, + { { 4, 4, 4, 1}, { 8.498805805090058e-18 , 0. } }, + { { 4, 4, 4, 2}, { -7.066219633472216e-10 , 0. } }, + { { 4, 4, 4, 3}, { -1.180161307956590e-09 , 0. } }, + { { 4, 4, 4, 4}, { 2.826532153350965e-01 , 0. } }, + { { 5, 1, 1, 1}, { 5.440349884008000e-17 , 0. } }, + { { 5, 1, 2, 1}, { -1.745107410043142e-10 , 0. } }, + { { 5, 1, 2, 2}, { 2.649660507772337e-16 , 0. } }, + { { 5, 1, 3, 1}, { 7.635325167581036e-11 , 0. } }, + { { 5, 1, 3, 2}, { -2.096304511957389e-16 , 0. } }, + { { 5, 1, 3, 3}, { -1.556185149821082e-16 , 0. } }, + { { 5, 1, 4, 1}, { 1.109228562777380e-03 , 0. } }, + { { 5, 1, 4, 2}, { 7.711016843213593e-18 , 0. } }, + { { 5, 1, 4, 3}, { -1.988336281019004e-17 , 0. } }, + { { 5, 1, 4, 4}, { -1.256381852169217e-16 , 0. } }, + { { 5, 1, 5, 1}, { 4.757272376368334e-03 , 0. } }, + { { 5, 2, 1, 1}, { -6.968670735150717e-09 , 0. } }, + { { 5, 2, 2, 1}, { 4.541606689865640e-16 , 0. } }, + { { 5, 2, 2, 2}, { 1.193896271322356e-09 , 0. } }, + { { 5, 2, 3, 1}, { -3.957842299807808e-16 , 0. } }, + { { 5, 2, 3, 2}, { 2.461790318131035e-10 , 0. } }, + { { 5, 2, 3, 3}, { -1.867388900287247e-09 , 0. } }, + { { 5, 2, 4, 1}, { -2.116343010927644e-17 , 0. } }, + { { 5, 2, 4, 2}, { -6.862089706190379e-03 , 0. } }, + { { 5, 2, 4, 3}, { 2.086701653055485e-02 , 0. } }, + { { 5, 2, 4, 4}, { -6.942713935776281e-10 , 0. } }, + { { 5, 2, 5, 1}, { -1.694686595881941e-17 , 0. } }, + { { 5, 2, 5, 2}, { 6.219624511220317e-02 , 0. } }, + { { 5, 3, 1, 1}, { 1.165617282832503e-08 , 0. } }, + { { 5, 3, 2, 1}, { -3.902602652267072e-16 , 0. } }, + { { 5, 3, 2, 2}, { 1.812442935324067e-10 , 0. } }, + { { 5, 3, 3, 1}, { -4.217167642303603e-16 , 0. } }, + { { 5, 3, 3, 2}, { -2.562826006786915e-09 , 0. } }, + { { 5, 3, 3, 3}, { -1.666132144742845e-09 , 0. } }, + { { 5, 3, 4, 1}, { -3.282010350762784e-18 , 0. } }, + { { 5, 3, 4, 2}, { -3.423956466727348e-02 , 0. } }, + { { 5, 3, 4, 3}, { 6.862133738505061e-03 , 0. } }, + { { 5, 3, 4, 4}, { 1.678495333324980e-11 , 0. } }, + { { 5, 3, 5, 1}, { -5.080408648968361e-18 , 0. } }, + { { 5, 3, 5, 2}, { -6.862120910692725e-03 , 0. } }, + { { 5, 3, 5, 3}, { 4.882380746267395e-02 , 0. } }, + { { 5, 4, 1, 1}, { 3.082887836455720e-03 , 0. } }, + { { 5, 4, 2, 1}, { 2.515313447907718e-18 , 0. } }, + { { 5, 4, 2, 2}, { -9.027510512652829e-03 , 0. } }, + { { 5, 4, 3, 1}, { -1.550776903259978e-18 , 0. } }, + { { 5, 4, 3, 2}, { -8.796198840613693e-03 , 0. } }, + { { 5, 4, 3, 3}, { 9.027607652432070e-03 , 0. } }, + { { 5, 4, 4, 1}, { -1.677956947224575e-16 , 0. } }, + { { 5, 4, 4, 2}, { -4.281630205893954e-10 , 0. } }, + { { 5, 4, 4, 3}, { -8.633840182725674e-11 , 0. } }, + { { 5, 4, 4, 4}, { 1.764153989938785e-08 , 0. } }, + { { 5, 4, 5, 1}, { -1.427130323728534e-17 , 0. } }, + { { 5, 4, 5, 2}, { 7.472321416518491e-10 , 0. } }, + { { 5, 4, 5, 3}, { 7.135080851056829e-10 , 0. } }, + { { 5, 4, 5, 4}, { 1.283221819015752e-02 , 0. } }, + { { 5, 5, 1, 1}, { 2.620630668050980e-01 , 0. } }, + { { 5, 5, 2, 1}, { 2.658171661756130e-17 , 0. } }, + { { 5, 5, 2, 2}, { 2.892946271244188e-01 , 0. } }, + { { 5, 5, 3, 1}, { -3.923904901672728e-18 , 0. } }, + { { 5, 5, 3, 2}, { -9.027549395694940e-03 , 0. } }, + { { 5, 5, 3, 3}, { 2.717022779416238e-01 , 0. } }, + { { 5, 5, 4, 1}, { -2.513197725008849e-17 , 0. } }, + { { 5, 5, 4, 2}, { 2.876053345100726e-10 , 0. } }, + { { 5, 5, 4, 3}, { 1.225930450314287e-09 , 0. } }, + { { 5, 5, 4, 4}, { 2.569887460898106e-01 , 0. } }, + { { 5, 5, 5, 1}, { 2.426388841452769e-16 , 0. } }, + { { 5, 5, 5, 2}, { 1.855925414396875e-09 , 0. } }, + { { 5, 5, 5, 3}, { 4.039196523945892e-10 , 0. } }, + { { 5, 5, 5, 4}, { 4.309124041346849e-08 , 0. } }, + { { 5, 5, 5, 5}, { 2.826531131445985e-01 , 0. } }, + { { 6, 1, 1, 1}, { 2.631663100300740e-03 , 0. } }, + { { 6, 1, 2, 1}, { 6.224377364763227e-20 , 0. } }, + { { 6, 1, 2, 2}, { -9.638056482124322e-04 , 0. } }, + { { 6, 1, 3, 1}, { 1.630338873762026e-18 , 0. } }, + { { 6, 1, 3, 2}, { -1.628273650960630e-04 , 0. } }, + { { 6, 1, 3, 3}, { 9.636793761281449e-04 , 0. } }, + { { 6, 1, 4, 1}, { -1.648362745908853e-17 , 0. } }, + { { 6, 1, 4, 2}, { -2.035740132956974e-09 , 0. } }, + { { 6, 1, 4, 3}, { -2.527458462113691e-09 , 0. } }, + { { 6, 1, 4, 4}, { -5.425386974630890e-04 , 0. } }, + { { 6, 1, 5, 1}, { -2.958908872433561e-18 , 0. } }, + { { 6, 1, 5, 2}, { 2.068661571894794e-09 , 0. } }, + { { 6, 1, 5, 3}, { 1.438620209960353e-09 , 0. } }, + { { 6, 1, 5, 4}, { -7.844370974891291e-04 , 0. } }, + { { 6, 1, 5, 5}, { 5.424370903468271e-04 , 0. } }, + { { 6, 1, 6, 1}, { 6.055763564239812e-03 , 0. } }, + { { 6, 2, 1, 1}, { 5.102465971267154e-18 , 0. } }, + { { 6, 2, 2, 1}, { -1.819590169527630e-04 , 0. } }, + { { 6, 2, 2, 2}, { -1.396890814562340e-18 , 0. } }, + { { 6, 2, 3, 1}, { -3.074139985838995e-05 , 0. } }, + { { 6, 2, 3, 2}, { -1.445743601536327e-19 , 0. } }, + { { 6, 2, 3, 3}, { 1.239115291654653e-17 , 0. } }, + { { 6, 2, 4, 1}, { -7.807412876528190e-10 , 0. } }, + { { 6, 2, 4, 2}, { 1.393536734087840e-16 , 0. } }, + { { 6, 2, 4, 3}, { -5.778772309473631e-17 , 0. } }, + { { 6, 2, 4, 4}, { 7.836718514625554e-18 , 0. } }, + { { 6, 2, 5, 1}, { 1.065243773379192e-09 , 0. } }, + { { 6, 2, 5, 2}, { -2.129553232785682e-16 , 0. } }, + { { 6, 2, 5, 3}, { -6.392171248830596e-17 , 0. } }, + { { 6, 2, 5, 4}, { 1.549183020925688e-18 , 0. } }, + { { 6, 2, 5, 5}, { -6.219425012294147e-18 , 0. } }, + { { 6, 2, 6, 1}, { 3.073885713884841e-18 , 0. } }, + { { 6, 2, 6, 2}, { 1.890205019918717e-03 , 0. } }, + { { 6, 3, 1, 1}, { -1.699947997083976e-17 , 0. } }, + { { 6, 3, 2, 1}, { -3.074145122554928e-05 , 0. } }, + { { 6, 3, 2, 2}, { -1.298284921205725e-18 , 0. } }, + { { 6, 3, 3, 1}, { 1.819563272403293e-04 , 0. } }, + { { 6, 3, 3, 2}, { 1.029160227345768e-17 , 0. } }, + { { 6, 3, 3, 3}, { -4.886763895153592e-17 , 0. } }, + { { 6, 3, 4, 1}, { -9.355455304012666e-10 , 0. } }, + { { 6, 3, 4, 2}, { 1.231123123475001e-16 , 0. } }, + { { 6, 3, 4, 3}, { 1.252434029332162e-16 , 0. } }, + { { 6, 3, 4, 4}, { -2.529793632445032e-17 , 0. } }, + { { 6, 3, 5, 1}, { 5.477012905596020e-10 , 0. } }, + { { 6, 3, 5, 2}, { 8.068320851725660e-17 , 0. } }, + { { 6, 3, 5, 3}, { -1.373108881981956e-16 , 0. } }, + { { 6, 3, 5, 4}, { -1.696954363660787e-17 , 0. } }, + { { 6, 3, 5, 5}, { -1.153722125274092e-17 , 0. } }, + { { 6, 3, 6, 1}, { -1.978634177911281e-18 , 0. } }, + { { 6, 3, 6, 2}, { -3.919095149569737e-10 , 0. } }, + { { 6, 3, 6, 3}, { 1.890207715675752e-03 , 0. } }, + { { 6, 4, 1, 1}, { 1.298960824956743e-16 , 0. } }, + { { 6, 4, 2, 1}, { -1.481982718889963e-10 , 0. } }, + { { 6, 4, 2, 2}, { 2.127616832427987e-16 , 0. } }, + { { 6, 4, 3, 1}, { -1.154293852406009e-09 , 0. } }, + { { 6, 4, 3, 2}, { 5.839292213298683e-17 , 0. } }, + { { 6, 4, 3, 3}, { 1.933670205823620e-16 , 0. } }, + { { 6, 4, 4, 1}, { -5.802813186036677e-04 , 0. } }, + { { 6, 4, 4, 2}, { 7.594925587837616e-18 , 0. } }, + { { 6, 4, 4, 3}, { -3.467090493212242e-17 , 0. } }, + { { 6, 4, 4, 4}, { 2.127446037230972e-16 , 0. } }, + { { 6, 4, 5, 1}, { -8.390840300295623e-04 , 0. } }, + { { 6, 4, 5, 2}, { -3.057257516582584e-17 , 0. } }, + { { 6, 4, 5, 3}, { -6.405743577848378e-18 , 0. } }, + { { 6, 4, 5, 4}, { -4.261175125141899e-17 , 0. } }, + { { 6, 4, 5, 5}, { 1.421291857472134e-16 , 0. } }, + { { 6, 4, 6, 1}, { 3.542972452025696e-19 , 0. } }, + { { 6, 4, 6, 2}, { -2.364603922809194e-09 , 0. } }, + { { 6, 4, 6, 3}, { -1.719231650888553e-09 , 0. } }, + { { 6, 4, 6, 4}, { 1.971724270342512e-03 , 0. } }, + { { 6, 5, 1, 1}, { -2.142746852054905e-16 , 0. } }, + { { 6, 5, 2, 1}, { 5.115653745726280e-10 , 0. } }, + { { 6, 5, 2, 2}, { -3.186020043372467e-16 , 0. } }, + { { 6, 5, 3, 1}, { 2.147536164173234e-10 , 0. } }, + { { 6, 5, 3, 2}, { 1.221408764874572e-17 , 0. } }, + { { 6, 5, 3, 3}, { -2.500576876296655e-16 , 0. } }, + { { 6, 5, 4, 1}, { -8.390829334376343e-04 , 0. } }, + { { 6, 5, 4, 2}, { 3.937364880200516e-18 , 0. } }, + { { 6, 5, 4, 3}, { -5.494607786135451e-17 , 0. } }, + { { 6, 5, 4, 4}, { -2.240902049694371e-16 , 0. } }, + { { 6, 5, 5, 1}, { 5.802785179335574e-04 , 0. } }, + { { 6, 5, 5, 2}, { -5.248958818821123e-17 , 0. } }, + { { 6, 5, 5, 3}, { -6.766716033467935e-18 , 0. } }, + { { 6, 5, 5, 4}, { 9.342675532753205e-18 , 0. } }, + { { 6, 5, 5, 5}, { -2.800288693026123e-16 , 0. } }, + { { 6, 5, 6, 1}, { -2.032172987903960e-17 , 0. } }, + { { 6, 5, 6, 2}, { 1.032533522382955e-09 , 0. } }, + { { 6, 5, 6, 3}, { 1.064372562740758e-09 , 0. } }, + { { 6, 5, 6, 4}, { -2.542366000646875e-09 , 0. } }, + { { 6, 5, 6, 5}, { 1.971723484078854e-03 , 0. } }, + { { 6, 6, 1, 1}, { 1.952202762692218e-01 , 0. } }, + { { 6, 6, 2, 1}, { 2.155054406648054e-17 , 0. } }, + { { 6, 6, 2, 2}, { 1.891227638325250e-01 , 0. } }, + { { 6, 6, 3, 1}, { -3.243782824589452e-18 , 0. } }, + { { 6, 6, 3, 2}, { -1.879813794021930e-08 , 0. } }, + { { 6, 6, 3, 3}, { 1.891227924267158e-01 , 0. } }, + { { 6, 6, 4, 1}, { -1.077338050213139e-17 , 0. } }, + { { 6, 6, 4, 2}, { -4.225546863395859e-08 , 0. } }, + { { 6, 6, 4, 3}, { -1.355247900841925e-08 , 0. } }, + { { 6, 6, 4, 4}, { 1.864482414414094e-01 , 0. } }, + { { 6, 6, 5, 1}, { 5.577100445733816e-18 , 0. } }, + { { 6, 6, 5, 2}, { -3.321005838007971e-09 , 0. } }, + { { 6, 6, 5, 3}, { 3.716759336924121e-08 , 0. } }, + { { 6, 6, 5, 4}, { 1.488782808378513e-08 , 0. } }, + { { 6, 6, 5, 5}, { 1.864482255600531e-01 , 0. } }, + { { 6, 6, 6, 1}, { -7.206726426307847e-09 , 0. } }, + { { 6, 6, 6, 2}, { -1.082428840993529e-17 , 0. } }, + { { 6, 6, 6, 3}, { 5.209415495881623e-18 , 0. } }, + { { 6, 6, 6, 4}, { 3.630204906262037e-17 , 0. } }, + { { 6, 6, 6, 5}, { -4.313350908410745e-17 , 0. } }, + { { 6, 6, 6, 6}, { 1.719259391704756e-01 , 0. } }, + { { 1, 1, 0, 0}, { -1.867961552457981e+00 , 0. } }, + { { 2, 1, 0, 0}, { -2.675007513144858e-16 , 0. } }, + { { 2, 2, 0, 0}, { -1.711392372950691e+00 , 0. } }, + { { 3, 1, 0, 0}, { 1.217146205777283e-17 , 0. } }, + { { 3, 2, 0, 0}, { 1.011514696979148e-03 , 0. } }, + { { 3, 3, 0, 0}, { -1.715746103836916e+00 , 0. } }, + { { 4, 1, 0, 0}, { 1.527076051299609e-16 , 0. } }, + { { 4, 2, 0, 0}, { 2.755630512726676e-08 , 0. } }, + { { 4, 3, 0, 0}, { 3.327070520805844e-08 , 0. } }, + { { 4, 4, 0, 0}, { -1.397793464577142e+00 , 0. } }, + { { 5, 1, 0, 0}, { -1.840074828073842e-16 , 0. } }, + { { 5, 2, 0, 0}, { 1.391697881671605e-08 , 0. } }, + { { 5, 3, 0, 0}, { -1.935433786776145e-08 , 0. } }, + { { 5, 4, 0, 0}, { -5.056697225955007e-03 , 0. } }, + { { 5, 5, 0, 0}, { -1.394243819429660e+00 , 0. } }, + { { 6, 1, 0, 0}, { -2.631413234031944e-03 , 0. } }, + { { 6, 2, 0, 0}, { -5.010241260238798e-17 , 0. } }, + { { 6, 3, 0, 0}, { 2.105003050445408e-16 , 0. } }, + { { 6, 4, 0, 0}, { -9.495930169099137e-16 , 0. } }, + { { 6, 5, 0, 0}, { 1.384475428446221e-15 , 0. } }, + { { 6, 6, 0, 0}, { -9.560291253543524e-01 , 0. } }, + { { 0, 0, 0, 0}, { -2.242700318175063e+02 , 0. } } }; + // == PARAMETERS FOR REAL-TIME EVOLUTION == + // Generic parameters + parametersBenzeneRealTime.set("integrals_binary", maquis::serialize(integralsComplex)); + parametersBenzeneRealTime.set("site_types", "0,0,0,0,0,0"); + parametersBenzeneRealTime.set("L", 6); + parametersBenzeneRealTime.set("irrep", 0); + parametersBenzeneRealTime.set("init_state", "hf"); + parametersBenzeneRealTime.set("hf_occ", "4,4,4,1,1,1"); + parametersBenzeneRealTime.set("nsweeps", 20); + parametersBenzeneRealTime.set("max_bond_dimension", 100); + parametersBenzeneRealTime.set("hamiltonian_units", "Hartree"); + parametersBenzeneRealTime.set("time_units", "as"); + parametersBenzeneRealTime.set("propagator_accuracy", 1.0E-16); + parametersBenzeneRealTime.set("propagator_maxiter", 10); + parametersBenzeneRealTime.set("time_step", 1.); + parametersBenzeneRealTime.set("imaginary_time", "no"); + parametersBenzeneRealTime.set("TD_backpropagation", "yes"); + parametersBenzeneRealTime.set("truncation_initial", 1.0E-30); + parametersBenzeneRealTime.set("truncation_final", 1.0E-30); + parametersBenzeneRealTime.set("alpha_initial", 0.); + parametersBenzeneRealTime.set("alpha_main", 0.); + parametersBenzeneRealTime.set("alpha_final", 0.); + parametersBenzeneRealTime.set("integral_cutoff", 1.0E-10); + // For SU2U1 + parametersBenzeneRealTime.set("nelec", 6); + parametersBenzeneRealTime.set("spin", 0); + // For 2U1 + parametersBenzeneRealTime.set("u1_total_charge1", 3); + parametersBenzeneRealTime.set("u1_total_charge2", 3); + // == PARAMETERS FOR IMAGINARY-TIME EVOLUTION == + // Generic parameters + parametersBenzeneImaginaryTime.set("integrals_binary", maquis::serialize(integralsComplex)); + parametersBenzeneImaginaryTime.set("site_types", "0,0,0,0,0,0"); + parametersBenzeneImaginaryTime.set("L", 6); + parametersBenzeneImaginaryTime.set("irrep", 0); + parametersBenzeneImaginaryTime.set("nsweeps", 20); + parametersBenzeneImaginaryTime.set("max_bond_dimension", 100); + parametersBenzeneImaginaryTime.set("hamiltonian_units", "Hartree"); + parametersBenzeneImaginaryTime.set("time_units", "fs"); + parametersBenzeneImaginaryTime.set("propagator_accuracy", 1.0E-10); + parametersBenzeneImaginaryTime.set("propagator_maxiter", 10); + parametersBenzeneImaginaryTime.set("time_step", 10.); + parametersBenzeneImaginaryTime.set("imaginary_time", "yes"); + parametersBenzeneImaginaryTime.set("TD_backpropagation", "no"); + parametersBenzeneImaginaryTime.set("nelec", 6); + parametersBenzeneImaginaryTime.set("spin", 0); + parametersBenzeneImaginaryTime.set("u1_total_charge1", 3); + parametersBenzeneImaginaryTime.set("u1_total_charge2", 3); + // == PARAMETERS FOR TI-DMRG == + parametersBenzene.set("integrals_binary", maquis::serialize(integralsReal)); + parametersBenzene.set("site_types", "0,0,0,0,0,0"); + parametersBenzene.set("L", 6); + parametersBenzene.set("irrep", 0); + parametersBenzene.set("nsweeps", 20); + parametersBenzene.set("max_bond_dimension", 100); + parametersBenzene.set("nelec", 6); + parametersBenzene.set("spin", 0); + parametersBenzene.set("u1_total_charge1", 3); + parametersBenzene.set("u1_total_charge2", 3); + parametersBenzene.set("truncation_initial", 1.0E-30); + parametersBenzene.set("truncation_final", 1.0E-30); + parametersBenzene.set("init_state", "hf"); + parametersBenzene.set("hf_occ", "4,4,4,1,1,1"); + } + // Class members + RealIntegralMapType integralsReal; + ComplexIntegralMapType integralsComplex; + DmrgParameters parametersBenzeneRealTime, parametersBenzeneImaginaryTime, parametersBenzene; +}; + +#endif \ No newline at end of file diff --git a/dmrg/tests/Fixtures/PreBOTimeEvolversFixture.h b/dmrg/tests/Fixtures/PreBOTimeEvolversFixture.h new file mode 100644 index 000000000..ce05765c4 --- /dev/null +++ b/dmrg/tests/Fixtures/PreBOTimeEvolversFixture.h @@ -0,0 +1,747 @@ +/***************************************************************************** +* +* ALPS MPS DMRG Project +* +* Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich +* 2021- by Alberto Baiardi +* +* This software is part of the ALPS Applications, published under the ALPS +* Application License; you can use, redistribute it and/or modify it under +* the terms of the license, either version 1 or (at your option) any later +* version. +* +* You should have received a copy of the ALPS Application License along with +* the ALPS Applications; see the file LICENSE.txt. If not, the license is also +* available from http://alps.comp-phys.org/. +* +* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +* FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT +* SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE +* FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, +* ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +* DEALINGS IN THE SOFTWARE. +* +*****************************************************************************/ + +#ifndef TEST_PREBO_TIMEEVOLUTIONSWEEP_FIXTURE_H +#define TEST_PREBO_TIMEEVOLUTIONSWEEP_FIXTURE_H + +#include "maquis_dmrg.h" +#include "dmrg/block_matrix/symmetry.h" + +#ifdef DMRG_PREBO + +/** + * @brief Fixture with the objects used in the TD PreBO tests + * Note that the integrals are taken from prebo_test2.cpp + */ +struct PreBOTestTimeEvolverFixture +{ + // Types definition + using IntegralMapTypeDouble = typename maquis::integral_map; + using IntegralMapTypeComplex = typename maquis::integral_map, chem::Hamiltonian::PreBO>; + /** @brief Constructor for the fixture class */ + PreBOTestTimeEvolverFixture() { + // BO-based integrals + integralsBO = IntegralMapTypeDouble{ + {{-1,-1,-1,-1,-1,-1,-1,-1},0.1763923530387111}, + {{0,0,0,0,-1,-1,-1,-1},-0.6802711028685324}, + {{0,0,0,2,-1,-1,-1,-1},0.07526840630272968}, + {{0,1,0,1,-1,-1,-1,-1},-0.6543632168967157}, + {{0,1,0,3,-1,-1,-1,-1},0.08728167494843309}, + {{0,2,0,0,-1,-1,-1,-1},0.07526840630272949}, + {{0,2,0,2,-1,-1,-1,-1},0.2283902278635599}, + {{0,3,0,1,-1,-1,-1,-1},0.08728167494843292}, + {{0,3,0,3,-1,-1,-1,-1},0.3423882983918999}, + {{0,0,0,0,0,0,0,0},0.1842790692925557}, + {{0,0,0,0,0,0,0,2},-0.03763420337488414}, + {{0,0,0,0,0,1,0,1},0.09872952891658415}, + {{0,0,0,0,0,1,0,3},-0.03477123411947585}, + {{0,0,0,0,0,2,0,0},-0.03763420337488413}, + {{0,0,0,0,0,2,0,2},0.03655689640589711}, + {{0,0,0,0,0,3,0,1},-0.03477123411947588}, + {{0,0,0,0,0,3,0,3},0.03327236099371499}, + {{0,0,0,1,0,0,0,1},0.09872952891658418}, + {{0,0,0,1,0,0,0,3},-0.03477123411947584}, + {{0,0,0,1,0,1,0,0},0.1866311043452651}, + {{0,0,0,1,0,1,0,2},-0.04128027869732104}, + {{0,0,0,1,0,2,0,1},-0.04481688352860439}, + {{0,0,0,1,0,2,0,3},0.03664246246971625}, + {{0,0,0,1,0,3,0,0},-0.03920603585723025}, + {{0,0,0,1,0,3,0,2},0.03658798479823142}, + {{0,0,0,2,0,0,0,0},-0.03763420337488416}, + {{0,0,0,2,0,0,0,2},0.03655689640589712}, + {{0,0,0,2,0,1,0,1},-0.04481688352860438}, + {{0,0,0,2,0,1,0,3},0.03664246246971625}, + {{0,0,0,2,0,2,0,0},0.1947198053616306}, + {{0,0,0,2,0,2,0,2},-0.05831200436614524}, + {{0,0,0,2,0,3,0,1},0.1068127293548811}, + {{0,0,0,2,0,3,0,3},-0.05322835824445955}, + {{0,0,0,3,0,0,0,1},-0.03477123411947588}, + {{0,0,0,3,0,0,0,3},0.03327236099371499}, + {{0,0,0,3,0,1,0,0},-0.03920603585723025}, + {{0,0,0,3,0,1,0,2},0.03658798479823138}, + {{0,0,0,3,0,2,0,1},0.1068127293548811}, + {{0,0,0,3,0,2,0,3},-0.05322835824445957}, + {{0,0,0,3,0,3,0,0},0.1906570567143694}, + {{0,0,0,3,0,3,0,2},-0.05745793841483472}, + {{0,1,0,0,0,0,0,1},0.1866311043452651}, + {{0,1,0,0,0,0,0,3},-0.03920603585723022}, + {{0,1,0,0,0,1,0,0},0.09872952891658415}, + {{0,1,0,0,0,1,0,2},-0.0448168835286044}, + {{0,1,0,0,0,2,0,1},-0.04128027869732109}, + {{0,1,0,0,0,2,0,3},0.03658798479823136}, + {{0,1,0,0,0,3,0,0},-0.03477123411947588}, + {{0,1,0,0,0,3,0,2},0.03664246246971627}, + {{0,1,0,1,0,0,0,0},0.09872952891658415}, + {{0,1,0,1,0,0,0,2},-0.04481688352860439}, + {{0,1,0,1,0,1,0,1},0.189844745754033}, + {{0,1,0,1,0,1,0,3},-0.04219754853151676}, + {{0,1,0,1,0,2,0,0},-0.04481688352860438}, + {{0,1,0,1,0,2,0,2},0.04106123456023925}, + {{0,1,0,1,0,3,0,1},-0.04219754853151678}, + {{0,1,0,1,0,3,0,3},0.03750279013385537}, + {{0,1,0,2,0,0,0,1},-0.04128027869732104}, + {{0,1,0,2,0,0,0,3},0.03658798479823134}, + {{0,1,0,2,0,1,0,0},-0.04481688352860438}, + {{0,1,0,2,0,1,0,2},0.04106123456023927}, + {{0,1,0,2,0,2,0,1},0.1984667878135254}, + {{0,1,0,2,0,2,0,3},-0.06104527396609304}, + {{0,1,0,2,0,3,0,0},0.1068127293548811}, + {{0,1,0,2,0,3,0,2},-0.06414087787820752}, + {{0,1,0,3,0,0,0,0},-0.03477123411947587}, + {{0,1,0,3,0,0,0,2},0.0366424624697162}, + {{0,1,0,3,0,1,0,1},-0.04219754853151677}, + {{0,1,0,3,0,1,0,3},0.03750279013385537}, + {{0,1,0,3,0,2,0,0},0.1068127293548812}, + {{0,1,0,3,0,2,0,2},-0.06414087787820755}, + {{0,1,0,3,0,3,0,1},0.1950618399114621}, + {{0,1,0,3,0,3,0,3},-0.05920528748005911}, + {{0,2,0,0,0,0,0,0},-0.03763420337488416}, + {{0,2,0,0,0,0,0,2},0.1947198053616306}, + {{0,2,0,0,0,1,0,1},-0.0448168835286044}, + {{0,2,0,0,0,1,0,3},0.1068127293548811}, + {{0,2,0,0,0,2,0,0},0.03655689640589711}, + {{0,2,0,0,0,2,0,2},-0.05831200436614524}, + {{0,2,0,0,0,3,0,1},0.03664246246971621}, + {{0,2,0,0,0,3,0,3},-0.05322835824445955}, + {{0,2,0,1,0,0,0,1},-0.04481688352860439}, + {{0,2,0,1,0,0,0,3},0.1068127293548811}, + {{0,2,0,1,0,1,0,0},-0.04128027869732105}, + {{0,2,0,1,0,1,0,2},0.1984667878135254}, + {{0,2,0,1,0,2,0,1},0.04106123456023928}, + {{0,2,0,1,0,2,0,3},-0.06414087787820746}, + {{0,2,0,1,0,3,0,0},0.03658798479823136}, + {{0,2,0,1,0,3,0,2},-0.06104527396609301}, + {{0,2,0,2,0,0,0,0},0.03655689640589711}, + {{0,2,0,2,0,0,0,2},-0.05831200436614522}, + {{0,2,0,2,0,1,0,1},0.04106123456023928}, + {{0,2,0,2,0,1,0,3},-0.06414087787820748}, + {{0,2,0,2,0,2,0,0},-0.0583120043661453}, + {{0,2,0,2,0,2,0,2},0.2278333714168219}, + {{0,2,0,2,0,3,0,1},-0.06414087787820751}, + {{0,2,0,2,0,3,0,3},0.13577048665041}, + {{0,2,0,3,0,0,0,1},0.0366424624697162}, + {{0,2,0,3,0,0,0,3},-0.05322835824445953}, + {{0,2,0,3,0,1,0,0},0.03658798479823135}, + {{0,2,0,3,0,1,0,2},-0.061045273966093}, + {{0,2,0,3,0,2,0,1},-0.06414087787820749}, + {{0,2,0,3,0,2,0,3},0.13577048665041}, + {{0,2,0,3,0,3,0,0},-0.05745793841483472}, + {{0,2,0,3,0,3,0,2},0.2231085965042993}, + {{0,3,0,0,0,0,0,1},-0.03920603585723025}, + {{0,3,0,0,0,0,0,3},0.1906570567143694}, + {{0,3,0,0,0,1,0,0},-0.03477123411947589}, + {{0,3,0,0,0,1,0,2},0.1068127293548812}, + {{0,3,0,0,0,2,0,1},0.03658798479823135}, + {{0,3,0,0,0,2,0,3},-0.05745793841483469}, + {{0,3,0,0,0,3,0,0},0.03327236099371495}, + {{0,3,0,0,0,3,0,2},-0.05322835824445952}, + {{0,3,0,1,0,0,0,0},-0.03477123411947589}, + {{0,3,0,1,0,0,0,2},0.1068127293548812}, + {{0,3,0,1,0,1,0,1},-0.04219754853151678}, + {{0,3,0,1,0,1,0,3},0.1950618399114621}, + {{0,3,0,1,0,2,0,0},0.03664246246971622}, + {{0,3,0,1,0,2,0,2},-0.06414087787820745}, + {{0,3,0,1,0,3,0,1},0.03750279013385537}, + {{0,3,0,1,0,3,0,3},-0.059205287480059}, + {{0,3,0,2,0,0,0,1},0.03658798479823136}, + {{0,3,0,2,0,0,0,3},-0.05745793841483467}, + {{0,3,0,2,0,1,0,0},0.03664246246971622}, + {{0,3,0,2,0,1,0,2},-0.06414087787820748}, + {{0,3,0,2,0,2,0,1},-0.06104527396609303}, + {{0,3,0,2,0,2,0,3},0.2231085965042992}, + {{0,3,0,2,0,3,0,0},-0.05322835824445951}, + {{0,3,0,2,0,3,0,2},0.1357704866504099}, + {{0,3,0,3,0,0,0,0},0.03327236099371494}, + {{0,3,0,3,0,0,0,2},-0.0532283582444595}, + {{0,3,0,3,0,1,0,1},0.03750279013385537}, + {{0,3,0,3,0,1,0,3},-0.05920528748005899}, + {{0,3,0,3,0,2,0,0},-0.05322835824445953}, + {{0,3,0,3,0,2,0,2},0.1357704866504099}, + {{0,3,0,3,0,3,0,1},-0.05920528748005899}, + {{0,3,0,3,0,3,0,3},0.2196551979193185}}; + // + integralsBOComplex = IntegralMapTypeComplex{ + {{-1,-1,-1,-1,-1,-1,-1,-1}, std::complex(0.1763923530387111, 0.) }, + {{0,0,0,0,-1,-1,-1,-1}, std::complex(-0.6802711028685324, 0.)}, + {{0,0,0,2,-1,-1,-1,-1}, std::complex(0.07526840630272968, 0.)}, + {{0,1,0,1,-1,-1,-1,-1}, std::complex(-0.6543632168967157, 0.)}, + {{0,1,0,3,-1,-1,-1,-1}, std::complex(0.08728167494843309, 0.)}, + {{0,2,0,0,-1,-1,-1,-1}, std::complex(0.07526840630272949, 0.)}, + {{0,2,0,2,-1,-1,-1,-1}, std::complex(0.2283902278635599, 0.)}, + {{0,3,0,1,-1,-1,-1,-1}, std::complex(0.08728167494843292, 0.)}, + {{0,3,0,3,-1,-1,-1,-1}, std::complex(0.3423882983918999, 0.)}, + {{0,0,0,0,0,0,0,0}, std::complex(0.1842790692925557, 0.) }, + {{0,0,0,0,0,0,0,2}, std::complex(-0.03763420337488414, 0.) }, + {{0,0,0,0,0,1,0,1}, std::complex(0.09872952891658415, 0.) }, + {{0,0,0,0,0,1,0,3}, std::complex(-0.03477123411947585, 0.) }, + {{0,0,0,0,0,2,0,0}, std::complex(-0.03763420337488413, 0.) }, + {{0,0,0,0,0,2,0,2}, std::complex(0.03655689640589711, 0.) }, + {{0,0,0,0,0,3,0,1}, std::complex(-0.03477123411947588, 0.) }, + {{0,0,0,0,0,3,0,3}, std::complex(0.03327236099371499, 0.) }, + {{0,0,0,1,0,0,0,1}, std::complex(0.09872952891658418, 0.) }, + {{0,0,0,1,0,0,0,3}, std::complex(-0.03477123411947584, 0.) }, + {{0,0,0,1,0,1,0,0}, std::complex(0.1866311043452651, 0.) }, + {{0,0,0,1,0,1,0,2}, std::complex(-0.04128027869732104, 0.) }, + {{0,0,0,1,0,2,0,1}, std::complex(-0.04481688352860439, 0.) }, + {{0,0,0,1,0,2,0,3}, std::complex(0.03664246246971625, 0.) }, + {{0,0,0,1,0,3,0,0}, std::complex(-0.03920603585723025, 0.) }, + {{0,0,0,1,0,3,0,2}, std::complex(0.03658798479823142, 0.) }, + {{0,0,0,2,0,0,0,0}, std::complex(-0.03763420337488416, 0.) }, + {{0,0,0,2,0,0,0,2}, std::complex(0.03655689640589712, 0.) }, + {{0,0,0,2,0,1,0,1}, std::complex(-0.04481688352860438, 0.) }, + {{0,0,0,2,0,1,0,3}, std::complex(0.03664246246971625, 0.) }, + {{0,0,0,2,0,2,0,0}, std::complex(0.1947198053616306, 0.) }, + {{0,0,0,2,0,2,0,2}, std::complex(-0.05831200436614524, 0.) }, + {{0,0,0,2,0,3,0,1}, std::complex(0.1068127293548811, 0.) }, + {{0,0,0,2,0,3,0,3}, std::complex(-0.05322835824445955, 0.) }, + {{0,0,0,3,0,0,0,1}, std::complex(-0.03477123411947588, 0.) }, + {{0,0,0,3,0,0,0,3}, std::complex(0.03327236099371499, 0.) }, + {{0,0,0,3,0,1,0,0}, std::complex(-0.03920603585723025, 0.) }, + {{0,0,0,3,0,1,0,2}, std::complex(0.03658798479823138, 0.) }, + {{0,0,0,3,0,2,0,1}, std::complex(0.1068127293548811, 0.) }, + {{0,0,0,3,0,2,0,3}, std::complex(-0.05322835824445957, 0.) }, + {{0,0,0,3,0,3,0,0}, std::complex(0.1906570567143694, 0.) }, + {{0,0,0,3,0,3,0,2}, std::complex(-0.05745793841483472, 0.) }, + {{0,1,0,0,0,0,0,1}, std::complex(0.1866311043452651, 0.) }, + {{0,1,0,0,0,0,0,3}, std::complex(-0.03920603585723022, 0.) }, + {{0,1,0,0,0,1,0,0}, std::complex(0.09872952891658415, 0.) }, + {{0,1,0,0,0,1,0,2}, std::complex(-0.0448168835286044, 0.) }, + {{0,1,0,0,0,2,0,1}, std::complex(-0.04128027869732109, 0.) }, + {{0,1,0,0,0,2,0,3}, std::complex(0.03658798479823136, 0.) }, + {{0,1,0,0,0,3,0,0}, std::complex(-0.03477123411947588, 0.) }, + {{0,1,0,0,0,3,0,2}, std::complex(0.03664246246971627, 0.) }, + {{0,1,0,1,0,0,0,0}, std::complex(0.09872952891658415, 0.) }, + {{0,1,0,1,0,0,0,2}, std::complex(-0.04481688352860439, 0.) }, + {{0,1,0,1,0,1,0,1}, std::complex(0.189844745754033, 0.) }, + {{0,1,0,1,0,1,0,3}, std::complex(-0.04219754853151676, 0.) }, + {{0,1,0,1,0,2,0,0}, std::complex(-0.04481688352860438, 0.) }, + {{0,1,0,1,0,2,0,2}, std::complex(0.04106123456023925, 0.) }, + {{0,1,0,1,0,3,0,1}, std::complex(-0.04219754853151678, 0.) }, + {{0,1,0,1,0,3,0,3}, std::complex(0.03750279013385537, 0.) }, + {{0,1,0,2,0,0,0,1}, std::complex(-0.04128027869732104, 0.) }, + {{0,1,0,2,0,0,0,3}, std::complex(0.03658798479823134, 0.) }, + {{0,1,0,2,0,1,0,0}, std::complex(-0.04481688352860438, 0.) }, + {{0,1,0,2,0,1,0,2}, std::complex(0.04106123456023927, 0.) }, + {{0,1,0,2,0,2,0,1}, std::complex(0.1984667878135254, 0.) }, + {{0,1,0,2,0,2,0,3}, std::complex(-0.06104527396609304, 0.) }, + {{0,1,0,2,0,3,0,0}, std::complex(0.1068127293548811, 0.) }, + {{0,1,0,2,0,3,0,2}, std::complex(-0.06414087787820752, 0.) }, + {{0,1,0,3,0,0,0,0}, std::complex(-0.03477123411947587, 0.) }, + {{0,1,0,3,0,0,0,2}, std::complex(0.0366424624697162, 0.) }, + {{0,1,0,3,0,1,0,1}, std::complex(-0.04219754853151677, 0.) }, + {{0,1,0,3,0,1,0,3}, std::complex(0.03750279013385537, 0.) }, + {{0,1,0,3,0,2,0,0}, std::complex(0.1068127293548812, 0.) }, + {{0,1,0,3,0,2,0,2}, std::complex(-0.06414087787820755, 0.) }, + {{0,1,0,3,0,3,0,1}, std::complex(0.1950618399114621, 0.) }, + {{0,1,0,3,0,3,0,3}, std::complex(-0.05920528748005911, 0.) }, + {{0,2,0,0,0,0,0,0}, std::complex(-0.03763420337488416, 0.) }, + {{0,2,0,0,0,0,0,2}, std::complex(0.1947198053616306, 0.) }, + {{0,2,0,0,0,1,0,1}, std::complex(-0.0448168835286044, 0.) }, + {{0,2,0,0,0,1,0,3}, std::complex(0.1068127293548811, 0.) }, + {{0,2,0,0,0,2,0,0}, std::complex(0.03655689640589711, 0.) }, + {{0,2,0,0,0,2,0,2}, std::complex(-0.05831200436614524, 0.) }, + {{0,2,0,0,0,3,0,1}, std::complex(0.03664246246971621, 0.) }, + {{0,2,0,0,0,3,0,3}, std::complex(-0.05322835824445955, 0.) }, + {{0,2,0,1,0,0,0,1}, std::complex(-0.04481688352860439, 0.) }, + {{0,2,0,1,0,0,0,3}, std::complex(0.1068127293548811, 0.) }, + {{0,2,0,1,0,1,0,0}, std::complex(-0.04128027869732105, 0.) }, + {{0,2,0,1,0,1,0,2}, std::complex(0.1984667878135254, 0.) }, + {{0,2,0,1,0,2,0,1}, std::complex(0.04106123456023928, 0.) }, + {{0,2,0,1,0,2,0,3}, std::complex(-0.06414087787820746, 0.) }, + {{0,2,0,1,0,3,0,0}, std::complex(0.03658798479823136, 0.) }, + {{0,2,0,1,0,3,0,2}, std::complex(-0.06104527396609301, 0.) }, + {{0,2,0,2,0,0,0,0}, std::complex(0.03655689640589711, 0.) }, + {{0,2,0,2,0,0,0,2}, std::complex(-0.05831200436614522, 0.) }, + {{0,2,0,2,0,1,0,1}, std::complex(0.04106123456023928, 0.) }, + {{0,2,0,2,0,1,0,3}, std::complex(-0.06414087787820748, 0.) }, + {{0,2,0,2,0,2,0,0}, std::complex(-0.0583120043661453, 0.) }, + {{0,2,0,2,0,2,0,2}, std::complex(0.2278333714168219, 0.) }, + {{0,2,0,2,0,3,0,1}, std::complex(-0.06414087787820751, 0.) }, + {{0,2,0,2,0,3,0,3}, std::complex(0.13577048665041, 0.) }, + {{0,2,0,3,0,0,0,1}, std::complex(0.0366424624697162, 0.) }, + {{0,2,0,3,0,0,0,3}, std::complex(-0.05322835824445953, 0.) }, + {{0,2,0,3,0,1,0,0}, std::complex(0.03658798479823135, 0.) }, + {{0,2,0,3,0,1,0,2}, std::complex(-0.061045273966093, 0.) }, + {{0,2,0,3,0,2,0,1}, std::complex(-0.06414087787820749, 0.) }, + {{0,2,0,3,0,2,0,3}, std::complex(0.13577048665041, 0.) }, + {{0,2,0,3,0,3,0,0}, std::complex(-0.05745793841483472, 0.) }, + {{0,2,0,3,0,3,0,2}, std::complex(0.2231085965042993, 0.)}, + {{0,3,0,0,0,0,0,1}, std::complex(-0.03920603585723025, 0.)}, + {{0,3,0,0,0,0,0,3}, std::complex(0.1906570567143694, 0.)}, + {{0,3,0,0,0,1,0,0}, std::complex(-0.03477123411947589, 0.)}, + {{0,3,0,0,0,1,0,2}, std::complex(0.1068127293548812, 0.)}, + {{0,3,0,0,0,2,0,1}, std::complex(0.03658798479823135, 0.)}, + {{0,3,0,0,0,2,0,3}, std::complex(-0.05745793841483469, 0.)}, + {{0,3,0,0,0,3,0,0}, std::complex(0.03327236099371495, 0.)}, + {{0,3,0,0,0,3,0,2}, std::complex(-0.05322835824445952, 0.)}, + {{0,3,0,1,0,0,0,0}, std::complex(-0.03477123411947589, 0.)}, + {{0,3,0,1,0,0,0,2}, std::complex(0.1068127293548812, 0.)}, + {{0,3,0,1,0,1,0,1}, std::complex(-0.04219754853151678, 0.)}, + {{0,3,0,1,0,1,0,3}, std::complex(0.1950618399114621, 0.)}, + {{0,3,0,1,0,2,0,0}, std::complex(0.03664246246971622, 0.)}, + {{0,3,0,1,0,2,0,2}, std::complex(-0.06414087787820745, 0.)}, + {{0,3,0,1,0,3,0,1}, std::complex(0.03750279013385537, 0.)}, + {{0,3,0,1,0,3,0,3}, std::complex(-0.059205287480059, 0.)}, + {{0,3,0,2,0,0,0,1}, std::complex(0.03658798479823136, 0.)}, + {{0,3,0,2,0,0,0,3}, std::complex(-0.05745793841483467, 0.)}, + {{0,3,0,2,0,1,0,0}, std::complex(0.03664246246971622, 0.)}, + {{0,3,0,2,0,1,0,2}, std::complex(-0.06414087787820748, 0.)}, + {{0,3,0,2,0,2,0,1}, std::complex(-0.06104527396609303, 0.)}, + {{0,3,0,2,0,2,0,3}, std::complex(0.2231085965042992, 0.)}, + {{0,3,0,2,0,3,0,0}, std::complex(-0.05322835824445951, 0.)}, + {{0,3,0,2,0,3,0,2}, std::complex(0.1357704866504099, 0.)}, + {{0,3,0,3,0,0,0,0}, std::complex(0.03327236099371494, 0.)}, + {{0,3,0,3,0,0,0,2}, std::complex(-0.0532283582444595, 0.)}, + {{0,3,0,3,0,1,0,1}, std::complex(0.03750279013385537, 0.)}, + {{0,3,0,3,0,1,0,3}, std::complex(-0.05920528748005899, 0.)}, + {{0,3,0,3,0,2,0,0}, std::complex(-0.05322835824445953, 0.)}, + {{0,3,0,3,0,2,0,2}, std::complex(0.1357704866504099, 0.)}, + {{0,3,0,3,0,3,0,1}, std::complex(-0.05920528748005899, 0.)}, + {{0,3,0,3,0,3,0,3}, std::complex(0.2196551979193185, 0.)}}; + // Truly Pre-BO integrals + integrals = IntegralMapTypeDouble{{{-1,-1,-1,-1,-1,-1,-1,-1,},1.145901278714102}, + {{0,0,0,0,-1,-1,-1,-1,},-2.451508889071943}, + {{0,0,0,2,-1,-1,-1,-1,},0.340200924167138}, + {{0,1,0,1,-1,-1,-1,-1,},-2.483740534490908}, + {{0,2,0,0,-1,-1,-1,-1,},0.340200924167138}, + {{0,2,0,2,-1,-1,-1,-1,},-0.9472232796119956}, + {{1,0,1,0,-1,-1,-1,-1,},2.30233235666604}, + {{1,0,1,1,-1,-1,-1,-1,},-0.009007309958580123}, + {{1,0,1,2,-1,-1,-1,-1,},7.287670993871842e-05}, + {{1,1,1,0,-1,-1,-1,-1,},-0.009007309958579485}, + {{1,1,1,1,-1,-1,-1,-1,},2.318319157456771}, + {{1,1,1,2,-1,-1,-1,-1,},-0.00829336437415229}, + {{1,2,1,0,-1,-1,-1,-1,},7.287670993886414e-05}, + {{1,2,1,1,-1,-1,-1,-1,},-0.008293364374150923}, + {{1,2,1,2,-1,-1,-1,-1,},2.296302969978205}, + {{0,0,0,0,0,0,0,0,},0.310230908236689}, + {{0,0,0,0,0,0,0,2,},-0.02040081079787406}, + {{0,0,0,0,0,1,0,1,},0.1649957094887641}, + {{0,0,0,0,0,2,0,0,},-0.02040081079787409}, + {{0,0,0,0,0,2,0,2,},0.05613648801432609}, + {{0,0,0,1,0,0,0,1,},0.1649957094887641}, + {{0,0,0,1,0,1,0,0,},0.3199430516661581}, + {{0,0,0,1,0,1,0,2,},-0.04610285623537873}, + {{0,0,0,1,0,2,0,1,},-0.08690785254423254}, + {{0,0,0,2,0,0,0,0,},-0.02040081079787408}, + {{0,0,0,2,0,0,0,2,},0.05613648801432616}, + {{0,0,0,2,0,1,0,1,},-0.08690785254423253}, + {{0,0,0,2,0,2,0,0,},0.3020996687680246}, + {{0,0,0,2,0,2,0,2,},0.0388421756046046}, + {{0,1,0,0,0,0,0,1,},0.3199430516661581}, + {{0,1,0,0,0,1,0,0,},0.1649957094887641}, + {{0,1,0,0,0,1,0,2,},-0.08690785254423253}, + {{0,1,0,0,0,2,0,1,},-0.04610285623537869}, + {{0,1,0,1,0,0,0,0,},0.1649957094887641}, + {{0,1,0,1,0,0,0,2,},-0.08690785254423251}, + {{0,1,0,1,0,1,0,1,},0.341496616351396}, + {{0,1,0,1,0,2,0,0,},-0.08690785254423251}, + {{0,1,0,1,0,2,0,2,},0.05379746250312636}, + {{0,1,0,2,0,0,0,1,},-0.04610285623537871}, + {{0,1,0,2,0,1,0,0,},-0.0869078525442325}, + {{0,1,0,2,0,1,0,2,},0.05379746250312634}, + {{0,1,0,2,0,2,0,1,},0.2857723825984251}, + {{0,2,0,0,0,0,0,0,},-0.02040081079787408}, + {{0,2,0,0,0,0,0,2,},0.3020996687680245}, + {{0,2,0,0,0,1,0,1,},-0.08690785254423253}, + {{0,2,0,0,0,2,0,0,},0.05613648801432609}, + {{0,2,0,0,0,2,0,2,},0.03884217560460462}, + {{0,2,0,1,0,0,0,1,},-0.0869078525442325}, + {{0,2,0,1,0,1,0,0,},-0.0461028562353787}, + {{0,2,0,1,0,1,0,2,},0.2857723825984251}, + {{0,2,0,1,0,2,0,1,},0.05379746250312636}, + {{0,2,0,2,0,0,0,0,},0.05613648801432609}, + {{0,2,0,2,0,0,0,2,},0.03884217560460463}, + {{0,2,0,2,0,1,0,1,},0.05379746250312637}, + {{0,2,0,2,0,2,0,0,},0.03884217560460466}, + {{0,2,0,2,0,2,0,2,},0.3751522469301112}, + {{1,0,0,0,0,0,1,0,},-0.6687141479267044}, + {{1,0,0,0,0,0,1,1,},0.00446526329666387}, + {{1,0,0,0,0,0,1,2,},-3.229680505868365e-05}, + {{1,0,0,0,0,2,1,0,},-0.2890102690822565}, + {{1,0,0,0,0,2,1,1,},0.01339990393392575}, + {{1,0,0,0,0,2,1,2,},-0.0001466525217719097}, + {{1,0,0,1,0,1,1,0,},-0.549859726257901}, + {{1,0,0,1,0,1,1,1,},4.887021698342842e-05}, + {{1,0,0,1,0,1,1,2,},-4.255636342531832e-06}, + {{1,0,0,2,0,0,1,0,},-0.2890102690822565}, + {{1,0,0,2,0,0,1,1,},0.01339990393392581}, + {{1,0,0,2,0,0,1,2,},-0.0001466525217719847}, + {{1,0,0,2,0,2,1,0,},-1.172781134823681}, + {{1,0,0,2,0,2,1,1,},0.04029975976479163}, + {{1,0,0,2,0,2,1,2,},-0.0006876411258513396}, + {{1,1,0,0,0,0,1,0,},0.004465263296663829}, + {{1,1,0,0,0,0,1,1,},-0.662920564480286}, + {{1,1,0,0,0,0,1,2,},0.00398779088675575}, + {{1,1,0,0,0,2,1,0,},0.0133999039339255}, + {{1,1,0,0,0,2,1,1,},-0.2720586857035383}, + {{1,1,0,0,0,2,1,2,},0.01098374741513764}, + {{1,1,0,1,0,1,1,0,},4.887021698358933e-05}, + {{1,1,0,1,0,1,1,1,},-0.5497584088097377}, + {{1,1,0,1,0,1,1,2,},0.0001674859973931107}, + {{1,1,0,2,0,0,1,0,},0.01339990393392551}, + {{1,1,0,2,0,0,1,1,},-0.2720586857035381}, + {{1,1,0,2,0,0,1,2,},0.01098374741513768}, + {{1,1,0,2,0,2,1,0,},0.04029975976479199}, + {{1,1,0,2,0,2,1,1,},-1.12298987393253}, + {{1,1,0,2,0,2,1,2,},0.03089541873027372}, + {{1,2,0,0,0,0,1,0,},-3.229680505857517e-05}, + {{1,2,0,0,0,0,1,1,},0.003987790886755767}, + {{1,2,0,0,0,0,1,2,},-0.6174511046264893}, + {{1,2,0,0,0,2,1,0,},-0.0001466525217718661}, + {{1,2,0,0,0,2,1,1,},0.01098374741513701}, + {{1,2,0,0,0,2,1,2,},-0.1631065527740806}, + {{1,2,0,1,0,1,1,0,},-4.255636342637116e-06}, + {{1,2,0,1,0,1,1,1,},0.0001674859973933445}, + {{1,2,0,1,0,1,1,2,},-0.544737399110193}, + {{1,2,0,2,0,0,1,0,},-0.0001466525217718663}, + {{1,2,0,2,0,0,1,1,},0.01098374741513701}, + {{1,2,0,2,0,0,1,2,},-0.1631065527740805}, + {{1,2,0,2,0,2,1,0,},-0.0006876411258516308}, + {{1,2,0,2,0,2,1,1,},0.03089541873027373}, + {{1,2,0,2,0,2,1,2,},-0.840925054659604}, + {{1,0,1,0,1,0,1,0,},2.037462633437517}, + {{1,0,1,0,1,0,1,1,},-0.4407398389016547}, + {{1,0,1,0,1,0,1,2,},0.04709195040220898}, + {{1,0,1,0,1,1,1,0,},-0.4407398389016537}, + {{1,0,1,0,1,1,1,1,},0.2852697244508224}, + {{1,0,1,0,1,1,1,2,},-0.049742204706042}, + {{1,0,1,0,1,2,1,0,},0.04709195040220848}, + {{1,0,1,0,1,2,1,1,},-0.04974220470604185}, + {{1,0,1,0,1,2,1,2,},0.01093429465261846}, + {{1,0,1,1,1,0,1,0,},-0.4407398389016546}, + {{1,0,1,1,1,0,1,1,},0.2852697244508213}, + {{1,0,1,1,1,0,1,2,},-0.04974220470604156}, + {{1,0,1,1,1,1,1,0,},1.672381120350235}, + {{1,0,1,1,1,1,1,1,},-0.3087457452650214}, + {{1,0,1,1,1,1,1,2,},0.03841738648174395}, + {{1,0,1,1,1,2,1,0,},-0.1785199313953152}, + {{1,0,1,1,1,2,1,1,},0.07068060677714871}, + {{1,0,1,1,1,2,1,2,},-0.009278852277055299}, + {{1,0,1,2,1,0,1,0,},0.04709195040220863}, + {{1,0,1,2,1,0,1,1,},-0.04974220470604254}, + {{1,0,1,2,1,0,1,2,},0.01093429465261911}, + {{1,0,1,2,1,1,1,0,},-0.1785199313953163}, + {{1,0,1,2,1,1,1,1,},0.07068060677714479}, + {{1,0,1,2,1,1,1,2,},-0.009278852277051833}, + {{1,0,1,2,1,2,1,0,},0.6554889116024163}, + {{1,0,1,2,1,2,1,1,},-0.01830759997060914}, + {{1,0,1,2,1,2,1,2,},0.002242438833576853}, + {{1,1,1,0,1,0,1,0,},-0.4407398389016544}, + {{1,1,1,0,1,0,1,1,},1.672381120350236}, + {{1,1,1,0,1,0,1,2,},-0.1785199313953167}, + {{1,1,1,0,1,1,1,0,},0.2852697244508238}, + {{1,1,1,0,1,1,1,1,},-0.3087457452650098}, + {{1,1,1,0,1,1,1,2,},0.07068060677714033}, + {{1,1,1,0,1,2,1,0,},-0.04974220470604307}, + {{1,1,1,0,1,2,1,1,},0.03841738648173543}, + {{1,1,1,0,1,2,1,2,},-0.009278852277048971}, + {{1,1,1,1,1,0,1,0,},0.2852697244508237}, + {{1,1,1,1,1,0,1,1,},-0.3087457452650091}, + {{1,1,1,1,1,0,1,2,},0.07068060677714005}, + {{1,1,1,1,1,1,1,0,},-0.308745745265015}, + {{1,1,1,1,1,1,1,1,},1.470228515178179}, + {{1,1,1,1,1,1,1,2,},-0.133923602757185}, + {{1,1,1,1,1,2,1,0,},0.07068060677714327}, + {{1,1,1,1,1,2,1,1,},-0.1339236027571946}, + {{1,1,1,1,1,2,1,2,},0.02694191713338766}, + {{1,1,1,2,1,0,1,0,},-0.04974220470604296}, + {{1,1,1,2,1,0,1,1,},0.03841738648173502}, + {{1,1,1,2,1,0,1,2,},-0.009278852277048782}, + {{1,1,1,2,1,1,1,0,},0.07068060677714294}, + {{1,1,1,2,1,1,1,1,},-0.1339236027571936}, + {{1,1,1,2,1,1,1,2,},0.02694191713338749}, + {{1,1,1,2,1,2,1,0,},-0.01830759997060699}, + {{1,1,1,2,1,2,1,1,},0.642279230300503}, + {{1,1,1,2,1,2,1,2,},-0.01007161628234874}, + {{1,2,1,0,1,0,1,0,},0.04709195040220864}, + {{1,2,1,0,1,0,1,1,},-0.178519931395316}, + {{1,2,1,0,1,0,1,2,},0.6554889116024161}, + {{1,2,1,0,1,1,1,0,},-0.04974220470604236}, + {{1,2,1,0,1,1,1,1,},0.07068060677714311}, + {{1,2,1,0,1,1,1,2,},-0.01830759997060749}, + {{1,2,1,0,1,2,1,0,},0.01093429465261907}, + {{1,2,1,0,1,2,1,1,},-0.009278852277051747}, + {{1,2,1,0,1,2,1,2,},0.00224243883357611}, + {{1,2,1,1,1,0,1,0,},-0.04974220470604236}, + {{1,2,1,1,1,0,1,1,},0.07068060677714312}, + {{1,2,1,1,1,0,1,2,},-0.01830759997060764}, + {{1,2,1,1,1,1,1,0,},0.03841738648173884}, + {{1,2,1,1,1,1,1,1,},-0.1339236027571757}, + {{1,2,1,1,1,1,1,2,},0.6422792303004888}, + {{1,2,1,1,1,2,1,0,},-0.009278852277050997}, + {{1,2,1,1,1,2,1,1,},0.02694191713337898}, + {{1,2,1,1,1,2,1,2,},-0.01007161628234035}, + {{1,2,1,2,1,0,1,0,},0.01093429465261909}, + {{1,2,1,2,1,0,1,1,},-0.009278852277051851}, + {{1,2,1,2,1,0,1,2,},0.002242438833576355}, + {{1,2,1,2,1,1,1,0,},-0.009278852277051004}, + {{1,2,1,2,1,1,1,1,},0.02694191713337882}, + {{1,2,1,2,1,1,1,2,},-0.01007161628234024}, + {{1,2,1,2,1,2,1,0,},0.002242438833575368}, + {{1,2,1,2,1,2,1,1,},-0.01007161628234169}, + {{1,2,1,2,1,2,1,2,},0.5198660835489574}}; + // Same as above, but complex + integralsComplex = IntegralMapTypeComplex{{{-1,-1,-1,-1,-1,-1,-1,-1,}, std::complex(1.145901278714102, 0.)}, + {{0,0,0,0,-1,-1,-1,-1,}, std::complex(-2.451508889071943, 0.)}, + {{0,0,0,2,-1,-1,-1,-1,}, std::complex(0.340200924167138, 0.)}, + {{0,1,0,1,-1,-1,-1,-1,}, std::complex(-2.483740534490908, 0.)}, + {{0,2,0,0,-1,-1,-1,-1,}, std::complex(0.340200924167138, 0.)}, + {{0,2,0,2,-1,-1,-1,-1,}, std::complex(-0.9472232796119956, 0.)}, + {{1,0,1,0,-1,-1,-1,-1,}, std::complex(2.30233235666604, 0.)}, + {{1,0,1,1,-1,-1,-1,-1,}, std::complex(-0.009007309958580123, 0.)}, + {{1,0,1,2,-1,-1,-1,-1,}, std::complex(7.287670993871842e-05, 0.)}, + {{1,1,1,0,-1,-1,-1,-1,}, std::complex(-0.009007309958579485, 0.)}, + {{1,1,1,1,-1,-1,-1,-1,}, std::complex(2.318319157456771, 0.)}, + {{1,1,1,2,-1,-1,-1,-1,}, std::complex(-0.00829336437415229, 0.)}, + {{1,2,1,0,-1,-1,-1,-1,}, std::complex(7.287670993886414e-05, 0.)}, + {{1,2,1,1,-1,-1,-1,-1,}, std::complex(-0.008293364374150923, 0.)}, + {{1,2,1,2,-1,-1,-1,-1,}, std::complex(2.296302969978205, 0.)}, + {{0,0,0,0,0,0,0,0,}, std::complex(0.310230908236689, 0.)}, + {{0,0,0,0,0,0,0,2,}, std::complex(-0.02040081079787406, 0.)}, + {{0,0,0,0,0,1,0,1,}, std::complex(0.1649957094887641, 0.)}, + {{0,0,0,0,0,2,0,0,}, std::complex(-0.02040081079787409, 0.)}, + {{0,0,0,0,0,2,0,2,}, std::complex(0.05613648801432609, 0.)}, + {{0,0,0,1,0,0,0,1,}, std::complex(0.1649957094887641, 0.)}, + {{0,0,0,1,0,1,0,0,}, std::complex(0.3199430516661581, 0.)}, + {{0,0,0,1,0,1,0,2,}, std::complex(-0.04610285623537873, 0.)}, + {{0,0,0,1,0,2,0,1,}, std::complex(-0.08690785254423254, 0.)}, + {{0,0,0,2,0,0,0,0,}, std::complex(-0.02040081079787408, 0.)}, + {{0,0,0,2,0,0,0,2,}, std::complex(0.05613648801432616, 0.)}, + {{0,0,0,2,0,1,0,1,}, std::complex(-0.08690785254423253, 0.)}, + {{0,0,0,2,0,2,0,0,}, std::complex(0.3020996687680246, 0.)}, + {{0,0,0,2,0,2,0,2,}, std::complex(0.0388421756046046, 0.)}, + {{0,1,0,0,0,0,0,1,}, std::complex(0.3199430516661581, 0.)}, + {{0,1,0,0,0,1,0,0,}, std::complex(0.1649957094887641, 0.)}, + {{0,1,0,0,0,1,0,2,}, std::complex(-0.08690785254423253, 0.)}, + {{0,1,0,0,0,2,0,1,}, std::complex(-0.04610285623537869, 0.)}, + {{0,1,0,1,0,0,0,0,}, std::complex(0.1649957094887641, 0.)}, + {{0,1,0,1,0,0,0,2,}, std::complex(-0.08690785254423251, 0.)}, + {{0,1,0,1,0,1,0,1,}, std::complex(0.341496616351396, 0.)}, + {{0,1,0,1,0,2,0,0,}, std::complex(-0.08690785254423251, 0.)}, + {{0,1,0,1,0,2,0,2,}, std::complex(0.05379746250312636, 0.)}, + {{0,1,0,2,0,0,0,1,}, std::complex(-0.04610285623537871, 0.)}, + {{0,1,0,2,0,1,0,0,}, std::complex(-0.0869078525442325, 0.)}, + {{0,1,0,2,0,1,0,2,}, std::complex(0.05379746250312634, 0.)}, + {{0,1,0,2,0,2,0,1,}, std::complex(0.2857723825984251, 0.)}, + {{0,2,0,0,0,0,0,0,}, std::complex(-0.02040081079787408, 0.)}, + {{0,2,0,0,0,0,0,2,}, std::complex(0.3020996687680245, 0.)}, + {{0,2,0,0,0,1,0,1,}, std::complex(-0.08690785254423253, 0.)}, + {{0,2,0,0,0,2,0,0,}, std::complex(0.05613648801432609, 0.)}, + {{0,2,0,0,0,2,0,2,}, std::complex(0.03884217560460462, 0.)}, + {{0,2,0,1,0,0,0,1,}, std::complex(-0.0869078525442325, 0.)}, + {{0,2,0,1,0,1,0,0,}, std::complex(-0.0461028562353787, 0.)}, + {{0,2,0,1,0,1,0,2,}, std::complex(0.2857723825984251, 0.)}, + {{0,2,0,1,0,2,0,1,}, std::complex(0.05379746250312636, 0.)}, + {{0,2,0,2,0,0,0,0,}, std::complex(0.05613648801432609, 0.)}, + {{0,2,0,2,0,0,0,2,}, std::complex(0.03884217560460463, 0.)}, + {{0,2,0,2,0,1,0,1,}, std::complex(0.05379746250312637, 0.)}, + {{0,2,0,2,0,2,0,0,}, std::complex(0.03884217560460466, 0.)}, + {{0,2,0,2,0,2,0,2,}, std::complex(0.3751522469301112, 0.)}, + {{1,0,0,0,0,0,1,0,}, std::complex(-0.6687141479267044, 0.)}, + {{1,0,0,0,0,0,1,1,}, std::complex(0.00446526329666387, 0.)}, + {{1,0,0,0,0,0,1,2,}, std::complex(-3.229680505868365e-05, 0.)}, + {{1,0,0,0,0,2,1,0,}, std::complex(-0.2890102690822565, 0.)}, + {{1,0,0,0,0,2,1,1,}, std::complex(0.01339990393392575, 0.)}, + {{1,0,0,0,0,2,1,2,}, std::complex(-0.0001466525217719097, 0.)}, + {{1,0,0,1,0,1,1,0,}, std::complex(-0.549859726257901, 0.)}, + {{1,0,0,1,0,1,1,1,}, std::complex(4.887021698342842e-05, 0.)}, + {{1,0,0,1,0,1,1,2,}, std::complex(-4.255636342531832e-06, 0.)}, + {{1,0,0,2,0,0,1,0,}, std::complex(-0.2890102690822565, 0.)}, + {{1,0,0,2,0,0,1,1,}, std::complex(0.01339990393392581, 0.)}, + {{1,0,0,2,0,0,1,2,}, std::complex(-0.0001466525217719847, 0.)}, + {{1,0,0,2,0,2,1,0,}, std::complex(-1.172781134823681, 0.)}, + {{1,0,0,2,0,2,1,1,}, std::complex(0.04029975976479163, 0.)}, + {{1,0,0,2,0,2,1,2,}, std::complex(-0.0006876411258513396, 0.)}, + {{1,1,0,0,0,0,1,0,}, std::complex(0.004465263296663829, 0.)}, + {{1,1,0,0,0,0,1,1,}, std::complex(-0.662920564480286, 0.)}, + {{1,1,0,0,0,0,1,2,}, std::complex(0.00398779088675575, 0.)}, + {{1,1,0,0,0,2,1,0,}, std::complex(0.0133999039339255, 0.)}, + {{1,1,0,0,0,2,1,1,}, std::complex(-0.2720586857035383, 0.)}, + {{1,1,0,0,0,2,1,2,}, std::complex(0.01098374741513764, 0.)}, + {{1,1,0,1,0,1,1,0,}, std::complex(4.887021698358933e-05, 0.)}, + {{1,1,0,1,0,1,1,1,}, std::complex(-0.5497584088097377, 0.)}, + {{1,1,0,1,0,1,1,2,}, std::complex(0.0001674859973931107, 0.)}, + {{1,1,0,2,0,0,1,0,}, std::complex(0.01339990393392551, 0.)}, + {{1,1,0,2,0,0,1,1,}, std::complex(-0.2720586857035381, 0.)}, + {{1,1,0,2,0,0,1,2,}, std::complex(0.01098374741513768, 0.)}, + {{1,1,0,2,0,2,1,0,}, std::complex(0.04029975976479199, 0.)}, + {{1,1,0,2,0,2,1,1,}, std::complex(-1.12298987393253, 0.)}, + {{1,1,0,2,0,2,1,2,}, std::complex(0.03089541873027372, 0.)}, + {{1,2,0,0,0,0,1,0,}, std::complex(-3.229680505857517e-05, 0.)}, + {{1,2,0,0,0,0,1,1,}, std::complex(0.003987790886755767, 0.)}, + {{1,2,0,0,0,0,1,2,}, std::complex(-0.6174511046264893, 0.)}, + {{1,2,0,0,0,2,1,0,}, std::complex(-0.0001466525217718661, 0.)}, + {{1,2,0,0,0,2,1,1,}, std::complex(0.01098374741513701, 0.)}, + {{1,2,0,0,0,2,1,2,}, std::complex(-0.1631065527740806, 0.)}, + {{1,2,0,1,0,1,1,0,}, std::complex(-4.255636342637116e-06, 0.)}, + {{1,2,0,1,0,1,1,1,}, std::complex(0.0001674859973933445, 0.)}, + {{1,2,0,1,0,1,1,2,}, std::complex(-0.544737399110193, 0.)}, + {{1,2,0,2,0,0,1,0,}, std::complex(-0.0001466525217718663, 0.)}, + {{1,2,0,2,0,0,1,1,}, std::complex(0.01098374741513701, 0.)}, + {{1,2,0,2,0,0,1,2,}, std::complex(-0.1631065527740805, 0.)}, + {{1,2,0,2,0,2,1,0,}, std::complex(-0.0006876411258516308, 0.)}, + {{1,2,0,2,0,2,1,1,}, std::complex(0.03089541873027373, 0.)}, + {{1,2,0,2,0,2,1,2,}, std::complex(-0.840925054659604, 0.)}, + {{1,0,1,0,1,0,1,0,}, std::complex(2.037462633437517, 0.)}, + {{1,0,1,0,1,0,1,1,}, std::complex(-0.4407398389016547, 0.)}, + {{1,0,1,0,1,0,1,2,}, std::complex(0.04709195040220898, 0.)}, + {{1,0,1,0,1,1,1,0,}, std::complex(-0.4407398389016537, 0.)}, + {{1,0,1,0,1,1,1,1,}, std::complex(0.2852697244508224, 0.)}, + {{1,0,1,0,1,1,1,2,}, std::complex(-0.049742204706042, 0.)}, + {{1,0,1,0,1,2,1,0,}, std::complex(0.04709195040220848, 0.)}, + {{1,0,1,0,1,2,1,1,}, std::complex(-0.04974220470604185, 0.)}, + {{1,0,1,0,1,2,1,2,}, std::complex(0.01093429465261846, 0.)}, + {{1,0,1,1,1,0,1,0,}, std::complex(-0.4407398389016546, 0.)}, + {{1,0,1,1,1,0,1,1,}, std::complex(0.2852697244508213, 0.)}, + {{1,0,1,1,1,0,1,2,}, std::complex(-0.04974220470604156, 0.)}, + {{1,0,1,1,1,1,1,0,}, std::complex(1.672381120350235, 0.)}, + {{1,0,1,1,1,1,1,1,}, std::complex(-0.3087457452650214, 0.)}, + {{1,0,1,1,1,1,1,2,}, std::complex(0.03841738648174395, 0.)}, + {{1,0,1,1,1,2,1,0,}, std::complex(-0.1785199313953152, 0.)}, + {{1,0,1,1,1,2,1,1,}, std::complex(0.07068060677714871, 0.)}, + {{1,0,1,1,1,2,1,2,}, std::complex(-0.009278852277055299, 0.)}, + {{1,0,1,2,1,0,1,0,}, std::complex(0.04709195040220863, 0.)}, + {{1,0,1,2,1,0,1,1,}, std::complex(-0.04974220470604254, 0.)}, + {{1,0,1,2,1,0,1,2,}, std::complex(0.01093429465261911, 0.)}, + {{1,0,1,2,1,1,1,0,}, std::complex(-0.1785199313953163, 0.)}, + {{1,0,1,2,1,1,1,1,}, std::complex(0.07068060677714479, 0.)}, + {{1,0,1,2,1,1,1,2,}, std::complex(-0.009278852277051833, 0.)}, + {{1,0,1,2,1,2,1,0,}, std::complex(0.6554889116024163, 0.)}, + {{1,0,1,2,1,2,1,1,}, std::complex(-0.01830759997060914, 0.)}, + {{1,0,1,2,1,2,1,2,}, std::complex(0.002242438833576853, 0.)}, + {{1,1,1,0,1,0,1,0,}, std::complex(-0.4407398389016544, 0.)}, + {{1,1,1,0,1,0,1,1,}, std::complex(1.672381120350236, 0.)}, + {{1,1,1,0,1,0,1,2,}, std::complex(-0.1785199313953167, 0.)}, + {{1,1,1,0,1,1,1,0,}, std::complex(0.2852697244508238, 0.)}, + {{1,1,1,0,1,1,1,1,}, std::complex(-0.3087457452650098, 0.)}, + {{1,1,1,0,1,1,1,2,}, std::complex(0.07068060677714033, 0.)}, + {{1,1,1,0,1,2,1,0,}, std::complex(-0.04974220470604307, 0.)}, + {{1,1,1,0,1,2,1,1,}, std::complex(0.03841738648173543, 0.)}, + {{1,1,1,0,1,2,1,2,}, std::complex(-0.009278852277048971, 0.)}, + {{1,1,1,1,1,0,1,0,}, std::complex(0.2852697244508237, 0.)}, + {{1,1,1,1,1,0,1,1,}, std::complex(-0.3087457452650091, 0.)}, + {{1,1,1,1,1,0,1,2,}, std::complex(0.07068060677714005, 0.)}, + {{1,1,1,1,1,1,1,0,}, std::complex(-0.308745745265015, 0.)}, + {{1,1,1,1,1,1,1,1,}, std::complex(1.470228515178179, 0.)}, + {{1,1,1,1,1,1,1,2,}, std::complex(-0.133923602757185, 0.)}, + {{1,1,1,1,1,2,1,0,}, std::complex(0.07068060677714327, 0.)}, + {{1,1,1,1,1,2,1,1,}, std::complex(-0.1339236027571946, 0.)}, + {{1,1,1,1,1,2,1,2,}, std::complex(0.02694191713338766, 0.)}, + {{1,1,1,2,1,0,1,0,}, std::complex(-0.04974220470604296, 0.)}, + {{1,1,1,2,1,0,1,1,}, std::complex(0.03841738648173502, 0.)}, + {{1,1,1,2,1,0,1,2,}, std::complex(-0.009278852277048782, 0.)}, + {{1,1,1,2,1,1,1,0,}, std::complex(0.07068060677714294, 0.)}, + {{1,1,1,2,1,1,1,1,}, std::complex(-0.1339236027571936, 0.)}, + {{1,1,1,2,1,1,1,2,}, std::complex(0.02694191713338749, 0.)}, + {{1,1,1,2,1,2,1,0,}, std::complex(-0.01830759997060699, 0.)}, + {{1,1,1,2,1,2,1,1,}, std::complex(0.642279230300503, 0.)}, + {{1,1,1,2,1,2,1,2,}, std::complex(-0.01007161628234874, 0.)}, + {{1,2,1,0,1,0,1,0,}, std::complex(0.04709195040220864, 0.)}, + {{1,2,1,0,1,0,1,1,}, std::complex(-0.178519931395316, 0.)}, + {{1,2,1,0,1,0,1,2,}, std::complex(0.6554889116024161, 0.)}, + {{1,2,1,0,1,1,1,0,}, std::complex(-0.04974220470604236, 0.)}, + {{1,2,1,0,1,1,1,1,}, std::complex(0.07068060677714311, 0.)}, + {{1,2,1,0,1,1,1,2,}, std::complex(-0.01830759997060749, 0.)}, + {{1,2,1,0,1,2,1,0,}, std::complex(0.01093429465261907, 0.)}, + {{1,2,1,0,1,2,1,1,}, std::complex(-0.009278852277051747, 0.)}, + {{1,2,1,0,1,2,1,2,}, std::complex(0.00224243883357611, 0.)}, + {{1,2,1,1,1,0,1,0,}, std::complex(-0.04974220470604236, 0.)}, + {{1,2,1,1,1,0,1,1,}, std::complex(0.07068060677714312, 0.)}, + {{1,2,1,1,1,0,1,2,}, std::complex(-0.01830759997060764, 0.)}, + {{1,2,1,1,1,1,1,0,}, std::complex(0.03841738648173884, 0.)}, + {{1,2,1,1,1,1,1,1,}, std::complex(-0.1339236027571757, 0.)}, + {{1,2,1,1,1,1,1,2,}, std::complex(0.6422792303004888, 0.)}, + {{1,2,1,1,1,2,1,0,}, std::complex(-0.009278852277050997, 0.)}, + {{1,2,1,1,1,2,1,1,}, std::complex(0.02694191713337898, 0.)}, + {{1,2,1,1,1,2,1,2,}, std::complex(-0.01007161628234035, 0.)}, + {{1,2,1,2,1,0,1,0,}, std::complex(0.01093429465261909, 0.)}, + {{1,2,1,2,1,0,1,1,}, std::complex(-0.009278852277051851, 0.)}, + {{1,2,1,2,1,0,1,2,}, std::complex(0.002242438833576355, 0.)}, + {{1,2,1,2,1,1,1,0,}, std::complex(-0.009278852277051004, 0.)}, + {{1,2,1,2,1,1,1,1,}, std::complex(0.02694191713337882, 0.)}, + {{1,2,1,2,1,1,1,2,}, std::complex(-0.01007161628234024, 0.)}, + {{1,2,1,2,1,2,1,0,}, std::complex(0.002242438833575368, 0.)}, + {{1,2,1,2,1,2,1,1,}, std::complex(-0.01007161628234169, 0.)}, + {{1,2,1,2,1,2,1,2,}, std::complex(0.5198660835489574, 0.)}}; + // == PARAMETERS LOADING == + parametersPreBOReal.set("integrals_binary", maquis::serialize(integrals)); + parametersPreBOComplex.set("integrals_binary", maquis::serialize(integralsComplex)); + parametersBOReal.set("integrals_binary", maquis::serialize(integralsBO)); + parametersBOComplex.set("integrals_binary", maquis::serialize(integralsBOComplex)); + auto allParametersBO = std::vector< std::reference_wrapper >{ parametersBOReal, parametersBOComplex }; + auto allParametersPreBO = std::vector< std::reference_wrapper >{ parametersPreBOReal, parametersPreBOComplex }; + auto allParametersComplex = std::vector< std::reference_wrapper >{ parametersPreBOComplex, parametersBOComplex }; + auto allParameters = std::vector< std::reference_wrapper >{ parametersPreBOReal, parametersPreBOComplex, + parametersBOReal, parametersBOComplex }; + // Model-specific parameters + for (const auto& iParam: allParametersPreBO) { + iParam.get().set("L", 6); + iParam.get().set("PreBO_ParticleTypeVector", "4 1"); + iParam.get().set("PreBO_FermionOrBosonVector", "1 1"); + iParam.get().set("PreBO_OrbitalVector", "3 3"); + iParam.get().set("PreBO_InitialStateVector", "2 2 1 0"); + iParam.get().set("orbital_order", "'1,2,0,4,3,5'"); + } + // + for (const auto& iParam: allParametersBO) { + iParam.get().set("L", 4); + iParam.get().set("PreBO_ParticleTypeVector", "2"); + iParam.get().set("PreBO_FermionOrBosonVector", "1"); + iParam.get().set("PreBO_OrbitalVector", "4"); + iParam.get().set("PreBO_InitialStateVector", "1 1"); + } + // Generic parameters + for (const auto& iParam: allParameters) { + iParam.get().set("max_bond_dimension", 100); + iParam.get().set("LATTICE", "preBO lattice"); + iParam.get().set("MODEL", "PreBO"); + iParam.get().set("nsweeps", 20); + iParam.get().set("symmetry", "nu1"); + iParam.get().set("init_state", "const"); + } + // TD-related parameters + for (const auto& iParam: allParametersComplex) { + iParam.get().set("hamiltonian_units", "Hartree"); + iParam.get().set("time_units", "fs"); + iParam.get().set("propagator_accuracy", 1.0E-10); + iParam.get().set("propagator_maxiter", 10); + iParam.get().set("time_step", 100.); + iParam.get().set("imaginary_time", "yes"); + iParam.get().set("TD_backpropagation", "no"); + iParam.get().set("simulation_type", "TD"); + iParam.get().set("COMPLEX", 1); + } + } + // Class members + IntegralMapTypeDouble integrals, integralsBO; + IntegralMapTypeComplex integralsComplex, integralsBOComplex; + DmrgParameters parametersPreBOReal, parametersPreBOComplex, parametersBOReal, parametersBOComplex; +}; + +#endif // DMRG_PREBO + +#endif diff --git a/dmrg/tests/Fixtures/TimeEvolversFixture.h b/dmrg/tests/Fixtures/TimeEvolversFixture.h new file mode 100644 index 000000000..8034bd3a7 --- /dev/null +++ b/dmrg/tests/Fixtures/TimeEvolversFixture.h @@ -0,0 +1,1224 @@ +/***************************************************************************** +* +* ALPS MPS DMRG Project +* +* Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich +* 2021- by Alberto Baiardi +* +* This software is part of the ALPS Applications, published under the ALPS +* Application License; you can use, redistribute it and/or modify it under +* the terms of the license, either version 1 or (at your option) any later +* version. +* +* You should have received a copy of the ALPS Application License along with +* the ALPS Applications; see the file LICENSE.txt. If not, the license is also +* available from http://alps.comp-phys.org/. +* +* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +* FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT +* SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE +* FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, +* ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +* DEALINGS IN THE SOFTWARE. +* +*****************************************************************************/ + +#ifndef TEST_TIMEEVOLVER_FIXTURE_H +#define TEST_TIMEEVOLVER_FIXTURE_H + +#include "maquis_dmrg.h" +#include "dmrg/block_matrix/symmetry.h" + +/** + * @brief Fixture with the objects used in the SiteProblem tests + * Note that the integrals are taken from test2.cpp + */ +struct TestTimeEvolverFixture +{ + // Types definition + using IntegralMapType = typename maquis::integral_map>; + using IntegralMapTypeDouble = typename maquis::integral_map; + /** @brief Constructor for the fixture class */ + TestTimeEvolverFixture() { + integrals = maquis::integral_map> { { { 1, 1, 1, 1 }, std::complex( 0.597263715971 ) }, + { { 1, 1, 2, 1 }, std::complex( 0.106899493032E-01 ) }, + { { 2, 1, 2, 1 }, std::complex( 0.215106203079E-02 ) }, + { { 2, 2, 2, 1 }, std::complex( 0.310109624236E-02 ) }, + { { 1, 1, 2, 2 }, std::complex( 0.205585394307 ) }, + { { 2, 2, 2, 2 }, std::complex( 0.266391740477 ) }, + { { 1, 1, 3, 1 }, std::complex(-0.294917730728E-08 ) }, + { { 2, 1, 3, 1 }, std::complex( 0.185509604436E-07 ) }, + { { 2, 2, 3, 1 }, std::complex(-0.437276233593E-07 ) }, + { { 3, 1, 3, 1 }, std::complex( 0.983873746561E-01 ) }, + { { 3, 2, 3, 1 }, std::complex(-0.550389961495E-02 ) }, + { { 3, 3, 3, 1 }, std::complex(-0.148187533022E-07 ) }, + { { 1, 1, 3, 2 }, std::complex( 0.656187599279E-07 ) }, + { { 2, 1, 3, 2 }, std::complex(-0.686302758417E-08 ) }, + { { 2, 2, 3, 2 }, std::complex(-0.185120456521E-07 ) }, + { { 3, 2, 3, 2 }, std::complex( 0.329840207584E-02 ) }, + { { 3, 3, 3, 2 }, std::complex( 0.705823689976E-07 ) }, + { { 1, 1, 3, 3 }, std::complex( 0.505228366944 ) }, + { { 2, 1, 3, 3 }, std::complex( 0.402391626267E-02 ) }, + { { 2, 2, 3, 3 }, std::complex( 0.207289323817 ) }, + { { 3, 3, 3, 3 }, std::complex( 0.485199794875 ) }, + { { 1, 1, 4, 1 }, std::complex(-0.179578099756 ) }, + { { 2, 1, 4, 1 }, std::complex(-0.968917151241E-02 ) }, + { { 2, 2, 4, 1 }, std::complex(-0.985834429751E-02 ) }, + { { 3, 1, 4, 1 }, std::complex( 0.166302185468E-07 ) }, + { { 3, 2, 4, 1 }, std::complex(-0.125974448467E-07 ) }, + { { 3, 3, 4, 1 }, std::complex(-0.113847869990 ) }, + { { 4, 1, 4, 1 }, std::complex( 0.118352897835 ) }, + { { 4, 2, 4, 1 }, std::complex( 0.102654021605E-01 ) }, + { { 4, 3, 4, 1 }, std::complex(-0.130590354090E-07 ) }, + { { 4, 4, 4, 1 }, std::complex(-0.121351408757 ) }, + { { 1, 1, 4, 2 }, std::complex(-0.350908680238E-01 ) }, + { { 2, 1, 4, 2 }, std::complex( 0.232966449115E-02 ) }, + { { 2, 2, 4, 2 }, std::complex( 0.137817149158E-01 ) }, + { { 3, 1, 4, 2 }, std::complex( 0.112151199425E-07 ) }, + { { 3, 2, 4, 2 }, std::complex(-0.240005477894E-07 ) }, + { { 3, 3, 4, 2 }, std::complex(-0.312450484337E-01 ) }, + { { 4, 2, 4, 2 }, std::complex( 0.123070217302E-01 ) }, + { { 4, 3, 4, 2 }, std::complex(-0.474523186140E-09 ) }, + { { 4, 4, 4, 2 }, std::complex(-0.249154148625E-01 ) }, + { { 1, 1, 4, 3 }, std::complex( 0.405834174486E-07 ) }, + { { 2, 1, 4, 3 }, std::complex( 0.416033554153E-08 ) }, + { { 2, 2, 4, 3 }, std::complex(-0.294525852258E-07 ) }, + { { 3, 1, 4, 3 }, std::complex(-0.444089181829E-02 ) }, + { { 3, 2, 4, 3 }, std::complex(-0.612942989364E-02 ) }, + { { 3, 3, 4, 3 }, std::complex( 0.350197853722E-07 ) }, + { { 4, 3, 4, 3 }, std::complex( 0.251137992170E-01 ) }, + { { 4, 4, 4, 3 }, std::complex( 0.323896546368E-07 ) }, + { { 1, 1, 4, 4 }, std::complex( 0.450421787348 ) }, + { { 2, 1, 4, 4 }, std::complex( 0.671517333359E-02 ) }, + { { 2, 2, 4, 4 }, std::complex( 0.195606443342 ) }, + { { 3, 1, 4, 4 }, std::complex( 0.185362625807E-08 ) }, + { { 3, 2, 4, 4 }, std::complex( 0.419234994857E-07 ) }, + { { 3, 3, 4, 4 }, std::complex( 0.382638069339 ) }, + { { 4, 4, 4, 4 }, std::complex( 0.370380122890 ) }, + { { 1, 1, 0, 0 }, std::complex(-0.876082926130 ) }, + { { 2, 1, 0, 0 }, std::complex( 0.928246209082E-02 ) }, + { { 2, 2, 0, 0 }, std::complex(-0.383002645306 ) }, + { { 3, 1, 0, 0 }, std::complex( 0.110478689971E-07 ) }, + { { 3, 2, 0, 0 }, std::complex(-0.838075467983E-07 ) }, + { { 3, 3, 0, 0 }, std::complex(-0.192723200850 ) }, + { { 4, 1, 0, 0 }, std::complex( 0.118275609870 ) }, + { { 4, 2, 0, 0 }, std::complex( 0.539573313879E-01 ) }, + { { 4, 3, 0, 0 }, std::complex(-0.670886115563E-07 ) }, + { { 4, 4, 0, 0 }, std::complex(-0.240135259399 ) }, + { { 0, 0, 0, 0 }, std::complex( -6.71049529388 ) } }; + // Same as above, but double + integralsDouble = maquis::integral_map { { { 1, 1, 1, 1 }, 0.597263715971 }, + { { 1, 1, 2, 1 }, 0.106899493032E-01 }, + { { 2, 1, 2, 1 }, 0.215106203079E-02 }, + { { 2, 2, 2, 1 }, 0.310109624236E-02 }, + { { 1, 1, 2, 2 }, 0.205585394307 }, + { { 2, 2, 2, 2 }, 0.266391740477 }, + { { 1, 1, 3, 1 }, -0.294917730728E-08 }, + { { 2, 1, 3, 1 }, 0.185509604436E-07 }, + { { 2, 2, 3, 1 }, -0.437276233593E-07 }, + { { 3, 1, 3, 1 }, 0.983873746561E-01 }, + { { 3, 2, 3, 1 }, -0.550389961495E-02 }, + { { 3, 3, 3, 1 }, -0.148187533022E-07 }, + { { 1, 1, 3, 2 }, 0.656187599279E-07 }, + { { 2, 1, 3, 2 }, -0.686302758417E-08 }, + { { 2, 2, 3, 2 }, -0.185120456521E-07 }, + { { 3, 2, 3, 2 }, 0.329840207584E-02 }, + { { 3, 3, 3, 2 }, 0.705823689976E-07 }, + { { 1, 1, 3, 3 }, 0.505228366944 }, + { { 2, 1, 3, 3 }, 0.402391626267E-02 }, + { { 2, 2, 3, 3 }, 0.207289323817 }, + { { 3, 3, 3, 3 }, 0.485199794875 }, + { { 1, 1, 4, 1 }, -0.179578099756 }, + { { 2, 1, 4, 1 }, -0.968917151241E-02 }, + { { 2, 2, 4, 1 }, -0.985834429751E-02 }, + { { 3, 1, 4, 1 }, 0.166302185468E-07 }, + { { 3, 2, 4, 1 }, -0.125974448467E-07 }, + { { 3, 3, 4, 1 }, -0.113847869990 }, + { { 4, 1, 4, 1 }, 0.118352897835 }, + { { 4, 2, 4, 1 }, 0.102654021605E-01 }, + { { 4, 3, 4, 1 }, -0.130590354090E-07 }, + { { 4, 4, 4, 1 }, -0.121351408757 }, + { { 1, 1, 4, 2 }, -0.350908680238E-01 }, + { { 2, 1, 4, 2 }, 0.232966449115E-02 }, + { { 2, 2, 4, 2 }, 0.137817149158E-01 }, + { { 3, 1, 4, 2 }, 0.112151199425E-07 }, + { { 3, 2, 4, 2 }, -0.240005477894E-07 }, + { { 3, 3, 4, 2 }, -0.312450484337E-01 }, + { { 4, 2, 4, 2 }, 0.123070217302E-01 }, + { { 4, 3, 4, 2 }, -0.474523186140E-09 }, + { { 4, 4, 4, 2 }, -0.249154148625E-01 }, + { { 1, 1, 4, 3 }, 0.405834174486E-07 }, + { { 2, 1, 4, 3 }, 0.416033554153E-08 }, + { { 2, 2, 4, 3 }, -0.294525852258E-07 }, + { { 3, 1, 4, 3 }, -0.444089181829E-02 }, + { { 3, 2, 4, 3 }, -0.612942989364E-02 }, + { { 3, 3, 4, 3 }, 0.350197853722E-07 }, + { { 4, 3, 4, 3 }, 0.251137992170E-01 }, + { { 4, 4, 4, 3 }, 0.323896546368E-07 }, + { { 1, 1, 4, 4 }, 0.450421787348 }, + { { 2, 1, 4, 4 }, 0.671517333359E-02 }, + { { 2, 2, 4, 4 }, 0.195606443342 }, + { { 3, 1, 4, 4 }, 0.185362625807E-08 }, + { { 3, 2, 4, 4 }, 0.419234994857E-07 }, + { { 3, 3, 4, 4 }, 0.382638069339 }, + { { 4, 4, 4, 4 }, 0.370380122890 }, + { { 1, 1, 0, 0 }, -0.876082926130 }, + { { 2, 1, 0, 0 }, 0.928246209082E-02 }, + { { 2, 2, 0, 0 }, -0.383002645306 }, + { { 3, 1, 0, 0 }, 0.110478689971E-07 }, + { { 3, 2, 0, 0 }, -0.838075467983E-07 }, + { { 3, 3, 0, 0 }, -0.192723200850 }, + { { 4, 1, 0, 0 }, 0.118275609870 }, + { { 4, 2, 0, 0 }, 0.539573313879E-01 }, + { { 4, 3, 0, 0 }, -0.670886115563E-07 }, + { { 4, 4, 0, 0 }, -0.240135259399 }, + { { 0, 0, 0, 0 }, -6.71049529388 } }; + // Relativistic test: N2+, (3e,8o) 3-21G basis: stknecht: please update description +#ifdef HAVE_U1DG + integralsRelativistic = maquis::integral_map> { + { { 1, 1, 1, 1 }, { 2.61972936056406e-01, -5.93576335462699e-17 } }, + { { 3, 1, 1, 1 }, { 1.26743997238509e-09, 9.20431282901706e-12 } }, + { { 1, 1, 3, 1 }, { 1.26743997238509e-09, 9.20431282901706e-12 } }, + { { 5, 1, 5, 1 }, { 7.34497110698912e-02, 4.26240897602650e-10 } }, + { { 7, 1, 5, 1 }, { 4.01669748480819e-09, 3.60591432811921e-09 } }, + { { 5, 1, 7, 1 }, { 4.01669748480819e-09, 3.60591432811921e-09 } }, + { { 1, 3, 1, 1 }, { 1.26743996410745e-09, -9.20429997217042e-12 } }, + { { 3, 3, 1, 1 }, { 2.61943485031872e-01, -2.00991307043607e-17 } }, + { { 1, 3, 3, 1 }, { 2.00381403996136e-02, -1.08420217248550e-18 } }, + { { 3, 3, 3, 1 }, { -1.27168924225649e-09, -9.73022387800160e-12 } }, + { { 5, 3, 5, 1 }, { -5.63030148897478e-09, -1.78997963409621e-09 } }, + { { 7, 3, 5, 1 }, { 2.22515327441311e-02, 4.31016204922364e-02 } }, + { { 5, 3, 7, 1 }, { 4.60947946335450e-03, 1.15626037854253e-02 } }, + { { 7, 3, 7, 1 }, { -4.28392084589810e-10, 3.43537540037891e-09 } }, + { { 5, 5, 1, 1 }, { 2.50873194689164e-01, 1.65168461057214e-17 } }, + { { 1, 5, 5, 1 }, { 7.34497110698912e-02, 1.89915634214172e-17 } }, + { { 3, 5, 5, 1 }, { -4.51615804178781e-09, 1.41887387086788e-09 } }, + { { 1, 5, 7, 1 }, { 3.38241175380762e-09, 2.85419828473184e-09 } }, + { { 7, 7, 1, 1 }, { 2.50828949907785e-01, -2.00659972392514e-17 } }, + { { 5, 7, 3, 1 }, { 5.62113152593796e-03, -1.41002713662608e-02 } }, + { { 1, 7, 5, 1 }, { 3.38241175232689e-09, -2.85419826760833e-09 } }, + { { 3, 7, 5, 1 }, { 2.22515329942571e-02, -4.31016203631071e-02 } }, + { { 1, 7, 7, 1 }, { 1.04255386413001e-02, 4.87890977618477e-19 } }, + { { 3, 7, 7, 1 }, { 2.15553000473605e-09, -1.31756361634581e-09 } }, + { { 1, 1, 1, 3 }, { 1.26743996410745e-09, -9.20429997217042e-12 } }, + { { 3, 1, 1, 3 }, { 2.00381403996136e-02, -1.08420217248550e-18 } }, + { { 1, 1, 3, 3 }, { 2.61943485031872e-01, -2.00991307043607e-17 } }, + { { 3, 1, 3, 3 }, { -1.27168924225649e-09, -9.73022387800160e-12 } }, + { { 5, 1, 5, 3 }, { -5.63030148897478e-09, -1.78997963409621e-09 } }, + { { 7, 1, 5, 3 }, { 4.60947946335450e-03, 1.15626037854253e-02 } }, + { { 5, 1, 7, 3 }, { 2.22515327441311e-02, 4.31016204922364e-02 } }, + { { 7, 1, 7, 3 }, { -4.28392084589810e-10, 3.43537540037891e-09 } }, + { { 3, 3, 1, 3 }, { -1.27168924927192e-09, 9.73023774231880e-12 } }, + { { 1, 3, 3, 3 }, { -1.27168924927192e-09, 9.73023774231880e-12 } }, + { { 3, 3, 3, 3 }, { 2.61914049687002e-01, 1.91403429621010e-17 } }, + { { 7, 3, 5, 3 }, { -1.11475987224334e-09, -4.36237058644354e-09 } }, + { { 5, 3, 7, 3 }, { -1.11475987224334e-09, -4.36237058644354e-09 } }, + { { 7, 3, 7, 3 }, { -1.85517291206674e-02, 2.61152081623646e-02 } }, + { { 7, 5, 1, 3 }, { 5.62113152593796e-03, 1.41002713662608e-02 } }, + { { 5, 5, 3, 3 }, { 2.50843627819692e-01, 3.76855130433924e-17 } }, + { { 1, 5, 5, 3 }, { -4.51615803079038e-09, -1.41887387023288e-09 } }, + { { 3, 5, 5, 3 }, { 1.48617254260414e-02, -4.33680868994202e-19 } }, + { { 1, 5, 7, 3 }, { 2.22515329942571e-02, 4.31016203631070e-02 } }, + { { 3, 5, 7, 3 }, { -2.00828744878274e-09, -2.74866711310747e-09 } }, + { { 7, 7, 3, 3 }, { 2.50799402750969e-01, 1.10201871793512e-18 } }, + { { 3, 7, 5, 3 }, { -2.00828744429202e-09, 2.74866710701661e-09 } }, + { { 1, 7, 7, 3 }, { 2.15552999444319e-09, 1.31756362061684e-09 } }, + { { 3, 7, 7, 3 }, { 3.20339000240785e-02, -3.46944695195361e-18 } }, + { { 5, 1, 1, 5 }, { 7.34497110698912e-02, 1.89915634214172e-17 } }, + { { 7, 1, 1, 5 }, { 3.38241175380762e-09, 2.85419828473184e-09 } }, + { { 5, 1, 3, 5 }, { -4.51615804178781e-09, 1.41887387086788e-09 } }, + { { 1, 1, 5, 5 }, { 2.50873194689164e-01, 1.65168461057214e-17 } }, + { { 5, 3, 1, 5 }, { -4.51615803079038e-09, -1.41887387023288e-09 } }, + { { 7, 3, 1, 5 }, { 2.22515329942571e-02, 4.31016203631070e-02 } }, + { { 5, 3, 3, 5 }, { 1.48617254260414e-02, -4.33680868994202e-19 } }, + { { 7, 3, 3, 5 }, { -2.00828744878274e-09, -2.74866711310747e-09 } }, + { { 3, 3, 5, 5 }, { 2.50843627819692e-01, 3.76855130433924e-17 } }, + { { 1, 3, 7, 5 }, { 5.62113152593796e-03, 1.41002713662608e-02 } }, + { { 1, 5, 1, 5 }, { 7.34497110698911e-02, -4.26240859619522e-10 } }, + { { 3, 5, 1, 5 }, { -5.63030150059789e-09, 1.78997963407439e-09 } }, + { { 1, 5, 3, 5 }, { -5.63030150059789e-09, 1.78997963407439e-09 } }, + { { 5, 5, 5, 5 }, { 2.46623945475382e-01, 7.18015643244974e-19 } }, + { { 1, 7, 1, 5 }, { 4.01669748364437e-09, -3.60591431030523e-09 } }, + { { 3, 7, 1, 5 }, { 2.22515327441311e-02, -4.31016204922363e-02 } }, + { { 1, 7, 3, 5 }, { 4.60947946335450e-03, -1.15626037854253e-02 } }, + { { 3, 7, 3, 5 }, { -1.11475987592073e-09, 4.36237059349358e-09 } }, + { { 7, 7, 5, 5 }, { 2.46582791504814e-01, 9.33242001386412e-19 } }, + { { 5, 7, 7, 5 }, { 1.31792902727351e-02, 7.04731412115578e-19 } }, + { { 5, 1, 1, 7 }, { 3.38241175232689e-09, -2.85419826760833e-09 } }, + { { 7, 1, 1, 7 }, { 1.04255386413001e-02, 4.87890977618477e-19 } }, + { { 5, 1, 3, 7 }, { 2.22515329942571e-02, -4.31016203631071e-02 } }, + { { 7, 1, 3, 7 }, { 2.15553000473605e-09, -1.31756361634581e-09 } }, + { { 3, 1, 5, 7 }, { 5.62113152593796e-03, -1.41002713662608e-02 } }, + { { 1, 1, 7, 7 }, { 2.50828949907785e-01, -2.00659972392514e-17 } }, + { { 7, 3, 1, 7 }, { 2.15552999444319e-09, 1.31756362061684e-09 } }, + { { 5, 3, 3, 7 }, { -2.00828744429202e-09, 2.74866710701661e-09 } }, + { { 7, 3, 3, 7 }, { 3.20339000240785e-02, -3.46944695195361e-18 } }, + { { 3, 3, 7, 7 }, { 2.50799402750969e-01, 1.10201871793512e-18 } }, + { { 1, 5, 1, 7 }, { 4.01669748364437e-09, -3.60591431030523e-09 } }, + { { 3, 5, 1, 7 }, { 4.60947946335450e-03, -1.15626037854253e-02 } }, + { { 1, 5, 3, 7 }, { 2.22515327441311e-02, -4.31016204922363e-02 } }, + { { 3, 5, 3, 7 }, { -1.11475987592073e-09, 4.36237059349358e-09 } }, + { { 7, 5, 5, 7 }, { 1.31792902727351e-02, 7.04731412115578e-19 } }, + { { 5, 5, 7, 7 }, { 2.46582791504814e-01, 9.33242001386412e-19 } }, + { { 3, 7, 1, 7 }, { -4.28392074105941e-10, -3.43537539483338e-09 } }, + { { 1, 7, 3, 7 }, { -4.28392074105941e-10, -3.43537539483338e-09 } }, + { { 3, 7, 3, 7 }, { -1.85517291206674e-02, -2.61152081623646e-02 } }, + { { 7, 7, 7, 7 }, { 2.46541664704192e-01, 1.14435014084414e-18 } }, + { { 3, 1, 3, 2 }, { 3.74526321335435e-04, -5.08863600688620e-03 } }, + { { 5, 1, 7, 2 }, { 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-2.10829501478453e-03, 9.24701177434335e-03 } }, + { { 6, 1, 2, 8 }, { -2.64933414192676e-08, 2.03285723876681e-08 } }, + { { 8, 1, 4, 8 }, { 1.49528282820932e-09, 1.95530142612850e-09 } }, + { { 8, 3, 2, 8 }, { 2.90052566099105e-09, 2.04564330047190e-09 } }, + { { 8, 3, 4, 8 }, { 1.78597171648502e-02, 3.17220781897178e-02 } }, + { { 2, 5, 2, 8 }, { 2.64933414192676e-08, -2.03285723876681e-08 } }, + { { 4, 7, 2, 8 }, { -2.90052566130477e-09, -2.04564330064451e-09 } }, + { { 2, 7, 4, 8 }, { -1.49528281786713e-09, -1.95530142297282e-09 } }, + { { 4, 7, 4, 8 }, { -1.78597171648502e-02, -3.17220781897178e-02 } }, + { { 4, 2, 4, 1 }, { -3.74526321335435e-04, -5.08863600688620e-03 } }, + { { 6, 2, 8, 1 }, { 3.44264964148825e-09, -9.90113228889187e-12 } }, + { { 8, 2, 8, 1 }, { 1.66776801001724e-03, -7.31485409650012e-03 } }, + { { 6, 4, 6, 1 }, { 7.84227887895553e-10, 8.65456802951857e-10 } }, + { { 8, 4, 8, 1 }, { 8.11616423400861e-10, -1.67305274306159e-09 } }, + { { 8, 6, 4, 1 }, { -3.68581034345984e-03, -1.16392983008537e-03 } }, + { { 2, 6, 8, 1 }, { 4.07154504759461e-09, -3.34683209358053e-10 } }, + { { 4, 6, 8, 1 }, { 8.85008772454983e-03, -1.38448609718686e-03 } }, + { { 2, 8, 6, 1 }, { -2.64933414192676e-08, 2.03285723876681e-08 } }, + { { 4, 8, 8, 1 }, { 1.49528282820932e-09, 1.95530142612850e-09 } }, + { { 4, 2, 2, 3 }, { 3.74526321335435e-04, 5.08863600688620e-03 } }, + { { 6, 2, 6, 3 }, { -1.76420137108402e-09, -1.05104052143859e-10 } }, + { { 8, 2, 6, 3 }, { 3.02246152287104e-03, 9.54454245082383e-04 } }, + { { 6, 2, 8, 3 }, { 5.50878617767860e-02, -1.99532026191667e-03 } }, + { { 8, 2, 8, 3 }, { 2.71542765828882e-09, -1.76543337678833e-09 } }, + { { 8, 4, 6, 3 }, { -7.35799849772961e-10, 8.96392999330838e-10 } }, + { { 6, 4, 8, 3 }, { -4.05111131217324e-09, 1.17669809757545e-09 } }, + { { 8, 4, 8, 3 }, { 1.55179369321789e-02, -3.29310396921256e-02 } }, + { { 8, 6, 2, 3 }, { 3.68581034345984e-03, 1.16392983008537e-03 } }, + { { 2, 6, 6, 3 }, { -1.64913548260651e-09, 1.70894051570111e-10 } }, + { { 4, 6, 6, 3 }, { 2.77775993160253e-04, 3.77410302057860e-03 } }, + { { 2, 6, 8, 3 }, { 5.50878617883651e-02, -1.99531994223260e-03 } }, + { { 4, 6, 8, 3 }, { -4.67622885738260e-09, -6.98952053415614e-10 } }, + { { 2, 8, 8, 3 }, { 2.90052566099105e-09, 2.04564330047190e-09 } }, + { { 4, 8, 8, 3 }, { 1.78597171648502e-02, 3.17220781897178e-02 } }, + { { 6, 2, 4, 5 }, { 1.76420137232554e-09, 1.05104055437868e-10 } }, + { { 8, 2, 4, 5 }, { -3.02246152287104e-03, -9.54454245082383e-04 } }, + { { 4, 2, 8, 5 }, { 1.07924356530296e-02, -1.68834184202895e-03 } }, + { { 6, 4, 2, 5 }, { -7.84227887895553e-10, -8.65456802951857e-10 } }, + { { 8, 4, 4, 5 }, { 7.35799852084301e-10, -8.96392999068158e-10 } }, + { { 2, 6, 4, 5 }, { 1.64913548384803e-09, -1.70894048276102e-10 } }, + { { 4, 6, 4, 5 }, { -2.77775993160253e-04, -3.77410302057860e-03 } }, + { { 8, 6, 8, 5 }, { 2.10829501478453e-03, -9.24701177434334e-03 } }, + { { 2, 8, 2, 5 }, { 2.64933414192676e-08, -2.03285723876681e-08 } }, + { { 6, 2, 2, 7 }, { -3.44264963006675e-09, 9.90112058323764e-12 } }, + { { 8, 2, 2, 7 }, { -1.66776801001724e-03, 7.31485409650012e-03 } }, + { { 6, 2, 4, 7 }, { -5.50878617767860e-02, 1.99532026191665e-03 } }, + { { 8, 2, 4, 7 }, { -2.71542765860322e-09, 1.76543337688875e-09 } }, + { { 4, 2, 6, 7 }, { -1.07924356530296e-02, 1.68834184202895e-03 } }, + { { 8, 4, 2, 7 }, { -8.11616426817687e-10, 1.67305273280271e-09 } }, + { { 6, 4, 4, 7 }, { 4.05111131184309e-09, -1.17669809730382e-09 } }, + { { 8, 4, 4, 7 }, { -1.55179369321789e-02, 3.29310396921256e-02 } }, + { { 2, 6, 2, 7 }, { -4.07154503617311e-09, 3.34683197652399e-10 } }, + { { 4, 6, 2, 7 }, { -8.85008772454983e-03, 1.38448609718686e-03 } }, + { { 2, 6, 4, 7 }, { -5.50878617883651e-02, 1.99531994223259e-03 } }, + { { 4, 6, 4, 7 }, { 4.67622885713219e-09, 6.98952053111356e-10 } }, + { { 8, 6, 6, 7 }, { -2.10829501478453e-03, 9.24701177434335e-03 } }, + { { 4, 8, 2, 7 }, { -1.49528281786713e-09, -1.95530142297282e-09 } }, + { { 2, 8, 4, 7 }, { -2.90052566130477e-09, -2.04564330064451e-09 } }, + { { 4, 8, 4, 7 }, { -1.78597171648502e-02, -3.17220781897178e-02 } }, + { { 2, 2, 2, 2 }, { 2.61972936056406e-01, -4.66849721298391e-17 } }, + { { 4, 2, 2, 2 }, { 1.26743997186442e-09, -9.20430828601083e-12 } }, + { { 2, 2, 4, 2 }, { 1.26743997186442e-09, -9.20430828601083e-12 } }, + { { 6, 2, 6, 2 }, { 7.34497110698912e-02, -4.26240851124491e-10 } }, + { { 8, 2, 6, 2 }, { 4.01669748482391e-09, -3.60591433307660e-09 } }, + { { 6, 2, 8, 2 }, { 4.01669748482391e-09, -3.60591433307660e-09 } }, + { { 2, 4, 2, 2 }, { 1.26743996462707e-09, 9.20431322108966e-12 } }, + { { 4, 4, 2, 2 }, { 2.61943485031872e-01, -4.89004634963355e-18 } }, + { { 2, 4, 4, 2 }, { 2.00381403996136e-02, -1.40946282423116e-18 } }, + { { 4, 4, 4, 2 }, { -1.27168924172567e-09, 9.73022873840840e-12 } }, + { { 6, 4, 6, 2 }, { -5.63030148934130e-09, 1.78997963271364e-09 } }, + { { 8, 4, 6, 2 }, { 2.22515327441311e-02, -4.31016204922364e-02 } }, + { { 6, 4, 8, 2 }, { 4.60947946335450e-03, -1.15626037854253e-02 } }, + { { 8, 4, 8, 2 }, { -4.28392086824487e-10, -3.43537540206739e-09 } }, + { { 6, 6, 2, 2 }, { 2.50873194689164e-01, 4.69906880131097e-18 } }, + { { 2, 6, 6, 2 }, { 7.34497110698912e-02, 9.76529576584216e-18 } }, + { { 4, 6, 6, 2 }, { -4.51615804141971e-09, -1.41887388113540e-09 } }, + { { 2, 6, 8, 2 }, { 3.38241175346073e-09, -2.85419828918138e-09 } }, + { { 8, 8, 2, 2 }, { 2.50828949907785e-01, -3.88899237389951e-18 } }, + { { 6, 8, 4, 2 }, { 5.62113152593797e-03, 1.41002713662608e-02 } }, + { { 2, 8, 6, 2 }, { 3.38241175231252e-09, 2.85419826357845e-09 } }, + { { 4, 8, 6, 2 }, { 2.22515329942571e-02, 4.31016203631071e-02 } }, + { { 2, 8, 8, 2 }, { 1.04255386413001e-02, 5.42101086242752e-20 } }, + { { 4, 8, 8, 2 }, { 2.15553000799339e-09, 1.31756361460964e-09 } }, + { { 2, 2, 2, 4 }, { 1.26743996462707e-09, 9.20431322108966e-12 } }, + { { 4, 2, 2, 4 }, { 2.00381403996136e-02, -1.40946282423116e-18 } }, + { { 2, 2, 4, 4 }, { 2.61943485031872e-01, -4.89004634963355e-18 } }, + { { 4, 2, 4, 4 }, { -1.27168924172567e-09, 9.73022873840840e-12 } }, + { { 6, 2, 6, 4 }, { -5.63030148934130e-09, 1.78997963271364e-09 } }, + { { 8, 2, 6, 4 }, { 4.60947946335450e-03, -1.15626037854253e-02 } }, + { { 6, 2, 8, 4 }, { 2.22515327441311e-02, -4.31016204922364e-02 } }, + { { 8, 2, 8, 4 }, { -4.28392086824487e-10, -3.43537540206739e-09 } }, + { { 4, 4, 2, 4 }, { -1.27168924980376e-09, -9.73022414045207e-12 } }, + { { 2, 4, 4, 4 }, { -1.27168924980376e-09, -9.73022414045207e-12 } }, + { { 4, 4, 4, 4 }, { 2.61914049687002e-01, 3.68803411812837e-17 } }, + { { 8, 4, 6, 4 }, { -1.11475987348867e-09, 4.36237058648892e-09 } }, + { { 6, 4, 8, 4 }, { -1.11475987348867e-09, 4.36237058648892e-09 } }, + { { 8, 4, 8, 4 }, { -1.85517291206674e-02, -2.61152081623646e-02 } }, + { { 8, 6, 2, 4 }, { 5.62113152593796e-03, -1.41002713662608e-02 } }, + { { 6, 6, 4, 4 }, { 2.50843627819692e-01, 2.68188203881229e-17 } }, + { { 2, 6, 6, 4 }, { -4.51615803043331e-09, 1.41887386867267e-09 } }, + { { 4, 6, 6, 4 }, { 1.48617254260414e-02, -2.16840434497101e-18 } }, + { { 2, 6, 8, 4 }, { 2.22515329942571e-02, -4.31016203631071e-02 } }, + { { 4, 6, 8, 4 }, { -2.00828745421621e-09, 2.74866711044360e-09 } }, + { { 8, 8, 4, 4 }, { 2.50799402750969e-01, 1.82057755524117e-17 } }, + { { 4, 8, 6, 4 }, { -2.00828744417945e-09, -2.74866710693906e-09 } }, + { { 2, 8, 8, 4 }, { 2.15552999177470e-09, -1.31756362202660e-09 } }, + { { 4, 8, 8, 4 }, { 3.20339000240785e-02, -1.73472347597681e-18 } }, + { { 6, 2, 2, 6 }, { 7.34497110698912e-02, 9.76529576584216e-18 } }, + { { 8, 2, 2, 6 }, { 3.38241175346073e-09, -2.85419828918138e-09 } }, + { { 6, 2, 4, 6 }, { -4.51615804141971e-09, -1.41887388113540e-09 } }, + { { 2, 2, 6, 6 }, { 2.50873194689164e-01, 4.69906880131097e-18 } }, + { { 6, 4, 2, 6 }, { -4.51615803043331e-09, 1.41887386867267e-09 } }, + { { 8, 4, 2, 6 }, { 2.22515329942571e-02, -4.31016203631071e-02 } }, + { { 6, 4, 4, 6 }, { 1.48617254260414e-02, -2.16840434497101e-18 } }, + { { 8, 4, 4, 6 }, { -2.00828745421621e-09, 2.74866711044360e-09 } }, + { { 4, 4, 6, 6 }, { 2.50843627819692e-01, 2.68188203881229e-17 } }, + { { 2, 4, 8, 6 }, { 5.62113152593796e-03, -1.41002713662608e-02 } }, + { { 2, 6, 2, 6 }, { 7.34497110698911e-02, 4.26240870655083e-10 } }, + { { 4, 6, 2, 6 }, { -5.63030150095342e-09, -1.78997964451953e-09 } }, + { { 2, 6, 4, 6 }, { -5.63030150095342e-09, -1.78997964451953e-09 } }, + { { 6, 6, 6, 6 }, { 2.46623945475382e-01, -9.66681842914379e-18 } }, + { { 2, 8, 2, 6 }, { 4.01669748399264e-09, 3.60591430678317e-09 } }, + { { 4, 8, 2, 6 }, { 2.22515327441311e-02, 4.31016204922363e-02 } }, + { { 2, 8, 4, 6 }, { 4.60947946335450e-03, 1.15626037854253e-02 } }, + { { 4, 8, 4, 6 }, { -1.11475986935356e-09, -4.36237059612427e-09 } }, + { { 8, 8, 6, 6 }, { 2.46582791504814e-01, 6.82292257170944e-19 } }, + { { 6, 8, 8, 6 }, { 1.31792902727351e-02, -1.24683249835833e-18 } }, + { { 6, 2, 2, 8 }, { 3.38241175231252e-09, 2.85419826357845e-09 } }, + { { 8, 2, 2, 8 }, { 1.04255386413001e-02, 5.42101086242752e-20 } }, + { { 6, 2, 4, 8 }, { 2.22515329942571e-02, 4.31016203631071e-02 } }, + { { 8, 2, 4, 8 }, { 2.15553000799339e-09, 1.31756361460964e-09 } }, + { { 4, 2, 6, 8 }, { 5.62113152593797e-03, 1.41002713662608e-02 } }, + { { 2, 2, 8, 8 }, { 2.50828949907785e-01, -3.88899237389951e-18 } }, + { { 8, 4, 2, 8 }, { 2.15552999177470e-09, -1.31756362202660e-09 } }, + { { 6, 4, 4, 8 }, { -2.00828744417945e-09, -2.74866710693906e-09 } }, + { { 8, 4, 4, 8 }, { 3.20339000240785e-02, -1.73472347597681e-18 } }, + { { 4, 4, 8, 8 }, { 2.50799402750969e-01, 1.82057755524117e-17 } }, + { { 2, 6, 2, 8 }, { 4.01669748399264e-09, 3.60591430678317e-09 } }, + { { 4, 6, 2, 8 }, { 4.60947946335450e-03, 1.15626037854253e-02 } }, + { { 2, 6, 4, 8 }, { 2.22515327441311e-02, 4.31016204922363e-02 } }, + { { 4, 6, 4, 8 }, { -1.11475986935356e-09, -4.36237059612427e-09 } }, + { { 8, 6, 6, 8 }, { 1.31792902727351e-02, -1.24683249835833e-18 } }, + { { 6, 6, 8, 8 }, { 2.46582791504814e-01, 6.82292257170944e-19 } }, + { { 4, 8, 2, 8 }, { -4.28392072459286e-10, 3.43537539337673e-09 } }, + { { 2, 8, 4, 8 }, { -4.28392072459286e-10, 3.43537539337673e-09 } }, + { { 4, 8, 4, 8 }, { -1.85517291206674e-02, 2.61152081623646e-02 } }, + { { 8, 8, 8, 8 }, { 2.46541664704192e-01, 1.10215294407731e-17 } }, + { { 1, 1, 0, 0 }, { -2.11636226073930e+00, 1.02763625347668e-18 } }, + { { 5, 1, 0, 0 }, { 1.19046590368770e-09, -5.57499617699363e-12 } }, + { { 3, 3, 0, 0 }, { -2.11591498795759e+00, 8.09942036238525e-17 } }, + { { 5, 5, 0, 0 }, { -1.68636099808535e+00, 7.71371067496320e-18 } }, + { { 7, 7, 0, 0 }, { -1.68576161450246e+00, 3.76062776246208e-18 } }, + { { 2, 2, 0, 0 }, { -2.11636226073930e+00, 5.03521382473279e-19 } }, + { { 6, 2, 0, 0 }, { 1.19046603507266e-09, 5.57499896179912e-12 } }, + { { 4, 4, 0, 0 }, { -2.11591498795759e+00, 1.35457336871340e-16 } }, + { { 6, 6, 0, 0 }, { -1.68636099808535e+00, -8.60733043431649e-18 } }, + { { 8, 8, 0, 0 }, { -1.68576161450246e+00, -9.10040816524792e-17 } }, + { { 0, 0, 0, 0 }, { -1.02932237633033e+02, 0.00000000000000e+00 } } + }; +#endif + // == PARAMETERS FOR REAL-TIME EVOLUTION == + parametersH2FourOrbitals.set("integrals_binary", maquis::serialize(integrals)); + parametersH2FourOrbitals.set("site_types", "0,0,0,0"); + parametersH2FourOrbitals.set("L", 4); + parametersH2FourOrbitals.set("irrep", 0); + parametersH2FourOrbitals.set("nsweeps", 2); + parametersH2FourOrbitals.set("max_bond_dimension", 100); + parametersH2FourOrbitals.set("hamiltonian_units", "Hartree"); + parametersH2FourOrbitals.set("time_units", "as"); + parametersH2FourOrbitals.set("propagator_accuracy", 1.0E-10); + parametersH2FourOrbitals.set("propagator_maxiter", 10); + parametersH2FourOrbitals.set("time_step", 1.); + parametersH2FourOrbitals.set("imaginary_time", "no"); + parametersH2FourOrbitals.set("TD_backpropagation", "yes"); + parametersH2FourOrbitals.set("simulation_type", "TD"); + parametersH2FourOrbitals.set("COMPLEX", 1); + // SU2-specific parameters + parametersH2FourOrbitals.set("nelec", 2); + parametersH2FourOrbitals.set("spin", 0); + // 2U1-specific parameters + parametersH2FourOrbitals.set("u1_total_charge1", 1); + parametersH2FourOrbitals.set("u1_total_charge2", 1); + parametersH2FourOrbitals.set("alpha_initial", 1.0E-10); + parametersH2FourOrbitals.set("alpha_main", 1.0E-15); + parametersH2FourOrbitals.set("alpha_final", 0); + // == PARAMETERS FOR IMAGINARY-TIME EVOLUTION == + parametersH2FourOrbitalsImaginary.set("integrals_binary", maquis::serialize(integrals)); + parametersH2FourOrbitalsImaginary.set("site_types", "0,0,0,0"); + parametersH2FourOrbitalsImaginary.set("L", 4); + parametersH2FourOrbitalsImaginary.set("irrep", 0); + parametersH2FourOrbitalsImaginary.set("nsweeps", 40); + parametersH2FourOrbitalsImaginary.set("max_bond_dimension", 100); + parametersH2FourOrbitalsImaginary.set("hamiltonian_units", "Hartree"); + parametersH2FourOrbitalsImaginary.set("time_units", "fs"); + parametersH2FourOrbitalsImaginary.set("propagator_accuracy", 1.0E-10); + parametersH2FourOrbitalsImaginary.set("propagator_maxiter", 10); + parametersH2FourOrbitalsImaginary.set("time_step", 100.); + parametersH2FourOrbitalsImaginary.set("imaginary_time", "yes"); + parametersH2FourOrbitalsImaginary.set("TD_backpropagation", "no"); + parametersH2FourOrbitalsImaginary.set("simulation_type", "TD"); + parametersH2FourOrbitalsImaginary.set("COMPLEX", 1); + parametersH2FourOrbitalsImaginary.set("nelec", 2); + parametersH2FourOrbitalsImaginary.set("spin", 0); + parametersH2FourOrbitalsImaginary.set("u1_total_charge1", 1); + parametersH2FourOrbitalsImaginary.set("u1_total_charge2", 1); + // == PARAMETERS FOR REAL-TIME EVOLUTION == + parametersH2FourOrbitalsReal.set("integrals_binary", maquis::serialize(integralsDouble)); + parametersH2FourOrbitalsReal.set("site_types", "0,0,0,0"); + parametersH2FourOrbitalsReal.set("L", 4); + parametersH2FourOrbitalsReal.set("irrep", 0); + parametersH2FourOrbitalsReal.set("nsweeps", 40); + parametersH2FourOrbitalsReal.set("max_bond_dimension", 100); + parametersH2FourOrbitalsReal.set("nelec", 2); + parametersH2FourOrbitalsReal.set("spin", 0); + parametersH2FourOrbitalsReal.set("u1_total_charge1", 1); + parametersH2FourOrbitalsReal.set("u1_total_charge2", 1); + // == PARAMETERS FOR THE RELATIVISTIC CALCULATIONS == +#ifdef HAVE_U1DG + parametersRelativistic.set("integrals_binary", maquis::serialize(integralsRelativistic)); + parametersRelativistic.set("site_types", "1,1,1,1,1,1,1,1"); + parametersRelativistic.set("L", 8); + parametersRelativistic.set("irrep", 1); + parametersRelativistic.set("nsweeps", 40); + parametersRelativistic.set("max_bond_dimension", 512); + parametersRelativistic.set("nelec", 3); + parametersRelativistic.set("hamiltonian_units", "Hartree"); + parametersRelativistic.set("time_units", "fs"); + parametersRelativistic.set("propagator_accuracy", 1.0E-10); + parametersRelativistic.set("propagator_maxiter", 10); + parametersRelativistic.set("time_step", 10.); + parametersRelativistic.set("imaginary_time", "yes"); + parametersRelativistic.set("TD_backpropagation", "no"); + parametersRelativistic.set("simulation_type", "TD"); + parametersRelativistic.set("COMPLEX", 1); + maquis::prepare_relativistic(parametersRelativistic); +#endif + } + // String converter class + specializations + template + std::string returnStringRepresentation() { return ""; }; + // Class members + IntegralMapType integrals, integralsRelativistic; + IntegralMapTypeDouble integralsDouble; + DmrgParameters parametersH2FourOrbitals, parametersH2FourOrbitalsImaginary, parametersH2FourOrbitalsReal, parametersRelativistic; +}; + +// Helper classes required to set properly the string in the parameters object depending +// on the template parameter. + +template<> +inline std::string TestTimeEvolverFixture::returnStringRepresentation() { return "2u1pg"; }; + +template<> +inline std::string TestTimeEvolverFixture::returnStringRepresentation() { return "su2u1pg"; }; + +#endif diff --git a/dmrg/tests/TimeEvolvers/SiteShifter.cpp b/dmrg/tests/TimeEvolvers/SiteShifter.cpp new file mode 100644 index 000000000..26c7efca4 --- /dev/null +++ b/dmrg/tests/TimeEvolvers/SiteShifter.cpp @@ -0,0 +1,110 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#define BOOST_TEST_MODULE TimeEvolvers + +#include +#include "utils/fpcomparison.h" +#include +#include "dmrg/mp_tensors/mps.h" +#include "dmrg/optimize/ietl_lanczos_solver.h" +#include "dmrg/mp_tensors/boundary.h" +#include "dmrg/mp_tensors/mps.h" +#include "dmrg/mp_tensors/mpo.h" +#include "dmrg/mp_tensors/mps_mpo_ops.h" +#include "dmrg/mp_tensors/siteproblem.h" +#include "dmrg/mp_tensors/zerositeproblem.h" +#include "dmrg/mp_tensors/contractions/engine.h" +#include "dmrg/optimize/ietl_lanczos_solver.h" +#include "dmrg/models/model.h" +#include "dmrg/models/generate_mpo.hpp" +#include "dmrg/sim/matrix_types.h" +#include "dmrg/evolve/TimeEvolvers/timeevolver.h" +#include "dmrg/evolve/siteshifter.h" +#include "dmrg/evolve/perturber.h" +#include "Fixtures/TimeEvolversFixture.h" + +typedef boost::mpl::list< +#ifdef HAVE_TwoU1PG +TwoU1PG +#endif +#ifdef HAVE_SU2U1PG +, SU2U1PG +#endif +> symmetries; + +/** Checks the constructor of a site shifter object */ +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestConstructorSiteShifter, S, symmetries, TestTimeEvolverFixture) { + // Types declaration + using BoundaryType = Boundary::type, S>; + using contr = contraction::Engine::type, S>; + using TimeEvolverType = TimeEvolver; + using PerturberType = Perturber; + using SiteShifterType = SiteShifter; + // The parameters are not really used + DmrgParameters p; + p.set("integrals_binary", maquis::serialize(integrals)); + p.set("site_types", "0,0,0,0"); + p.set("L", 4); + p.set("irrep", 0); + p.set("nsweeps",2); + p.set("max_bond_dimension", 100); + p.set("hamiltonian_units", "Hartree"); + p.set("time_units", "as"); + p.set("propagator_accuracy", 1.0E-20); + p.set("propagator_maxiter", 10); + p.set("time_step", 1.); + p.set("imaginary_time", "no"); + p.set("COMPLEX", 1); + // For SU2U1 + p.set("nelec", 2); + p.set("spin", 0); + // For 2U1 + p.set("u1_total_charge1", 1); + p.set("u1_total_charge2", 1); + // In both cases, we construct everything as is done in [sim.hpp] + auto lat = Lattice(p); + auto model = Model(lat, p); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, p))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // Prepares the boundaries + std::vector left, right; + left.resize(latticeSize+1); + right.resize(latticeSize+1); + left[0] = mps.left_boundary(); + for (int iSite = 0; iSite < latticeSize; iSite++) + left[iSite+1] = contr::overlap_mpo_left_step(mps[iSite], mps[iSite], left[iSite], mpo[iSite]); + right[latticeSize] = mps.right_boundary(); + for (int iSite = latticeSize-1; iSite >= 0; iSite--) + right[iSite] = contr::overlap_mpo_right_step(mps[iSite], mps[iSite], right[iSite+1], mpo[iSite]); + // Constructs the SiteShfiter object + auto pointerToPerturber = std::make_shared(left, right, mpo, p); + auto timeEvolver = std::make_shared(p); + auto siteShifter = SiteShifter(mps, timeEvolver, pointerToPerturber, 0, true); + BOOST_TEST(siteShifter.getSite() == 0); +} \ No newline at end of file diff --git a/dmrg/tests/TimeEvolvers/TimeEvolutionSweep.cpp b/dmrg/tests/TimeEvolvers/TimeEvolutionSweep.cpp new file mode 100644 index 000000000..f3d8d445e --- /dev/null +++ b/dmrg/tests/TimeEvolvers/TimeEvolutionSweep.cpp @@ -0,0 +1,207 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#define BOOST_TEST_MODULE TimeEvolutionSweep + +#include +#include +#include "utils/fpcomparison.h" +#include +#include "dmrg/utils/time_stopper.h" +#include "dmrg/optimize/ietl_lanczos_solver.h" +#include "dmrg/mp_tensors/mps.h" +#include "dmrg/mp_tensors/mpo.h" +#include "dmrg/mp_tensors/mps_mpo_ops.h" +#include "dmrg/optimize/ietl_lanczos_solver.h" +#include "dmrg/models/model.h" +#include "dmrg/models/generate_mpo.hpp" +#include "dmrg/sim/matrix_types.h" +#include "dmrg/evolve/TimeEvolutionSweep.h" +#include "Fixtures/TimeEvolversFixture.h" + +// Note that the relativistic groups are managed separately +typedef boost::mpl::list< +#ifdef HAVE_TwoU1PG +TwoU1PG +#endif +#ifdef HAVE_SU2U1PG +, SU2U1PG +#endif +> symmetries; + +/** Checks the constructor of a site shifter object */ +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestConstructorSingleSiteEvolution, S, symmetries, TestTimeEvolverFixture) { + using SingleSiteTimeEvolution = SingleSiteTimeEvolution; + // In both cases, we construct everything as is done in [sim.hpp] + auto lat = Lattice(parametersH2FourOrbitals); + auto model = Model(lat, parametersH2FourOrbitals); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, parametersH2FourOrbitals))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // Prepares the boundaries + time_stopper stop_callback(10000.); + auto ssEvolver = SingleSiteTimeEvolution(mps, mpo, parametersH2FourOrbitals, stop_callback); + auto initialEnergy = expval(mps, mpo); + for (int iSweep = 0; iSweep < 10; iSweep++) + ssEvolver.evolve_sweep(iSweep); + auto finalEnergy = expval(mps, mpo); + BOOST_CHECK_CLOSE(maquis::real(initialEnergy), maquis::real(finalEnergy), 1.0E-10); +} + +/** Checks the constructor of a site shifter object */ +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestConstructorTwoSiteEvolution, S, symmetries, TestTimeEvolverFixture) { + using TwoSiteTimeEvolution = TwoSiteTimeEvolution; + // We construct everything as is done in [sim.hpp] + auto lat = Lattice(parametersH2FourOrbitals); + auto model = Model(lat, parametersH2FourOrbitals); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, parametersH2FourOrbitals))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // Prepares the boundaries + time_stopper stop_callback(10000.); + auto tsEvolver = TwoSiteTimeEvolution(mps, mpo, parametersH2FourOrbitals, stop_callback); + auto initialEnergy = expval(mps, mpo); + for (int iSweep = 0; iSweep < 10; iSweep++) + tsEvolver.evolve_sweep(iSweep); + auto finalEnergy = expval(mps, mpo); + BOOST_CHECK_CLOSE(maquis::real(initialEnergy), maquis::real(finalEnergy), 1.0E-10); +} + + +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestSingleSiteImaginaryTimeVsTI, S, symmetries, TestTimeEvolverFixture) { + using SingleSiteTimeEvolution = SingleSiteTimeEvolution; + // We construct everything as is done in [sim.hpp] + auto lat = Lattice(parametersH2FourOrbitalsImaginary); + auto model = Model(lat, parametersH2FourOrbitalsImaginary); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, parametersH2FourOrbitalsImaginary))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // Prepares the boundaries + time_stopper stop_callback(10000.); + auto ssEvolver = SingleSiteTimeEvolution(mps, mpo, parametersH2FourOrbitalsImaginary, stop_callback); + // We extract the number of sweeps from the parameters to ensure consistency with TI-DMRG + int nSweeps = parametersH2FourOrbitalsImaginary["nsweeps"]; + for (int iSweep = 0; iSweep < nSweeps; iSweep++) + ssEvolver.evolve_sweep(iSweep); + auto iTDEnergy = expval(mps, mpo); + // Calculates the same energy via conventional TI-DMRG + auto parameterCopy = parametersH2FourOrbitalsReal; + parameterCopy.set("symmetry", returnStringRepresentation()); + maquis::DMRGInterface interface(parameterCopy); + interface.optimize(); + // Checks consistency + BOOST_CHECK_CLOSE(maquis::real(iTDEnergy), interface.energy(), 1.0E-10); +} + + +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestTwoSiteImaginaryTimeVsTI, S, symmetries, TestTimeEvolverFixture) { + using TwoSiteTimeEvolution = TwoSiteTimeEvolution; + // We construct everything as is done in [sim.hpp] + auto lat = Lattice(parametersH2FourOrbitalsImaginary); + auto model = Model(lat, parametersH2FourOrbitalsImaginary); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, parametersH2FourOrbitalsImaginary))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // Prepares the boundaries + time_stopper stop_callback(10000.); + auto tsEvolver = TwoSiteTimeEvolution(mps, mpo, parametersH2FourOrbitalsImaginary, stop_callback); + // We extract the number of sweeps from the parameters to ensure consistency with TI-DMRG + int nSweeps = parametersH2FourOrbitalsImaginary["nsweeps"]; + for (int iSweep = 0; iSweep < nSweeps; iSweep++) + tsEvolver.evolve_sweep(iSweep); + auto iTDEnergy = expval(mps, mpo); + // Calculates the same energy via conventional TI-DMRG + auto parameterCopy = parametersH2FourOrbitalsReal; + parameterCopy.set("symmetry", returnStringRepresentation()); + maquis::DMRGInterface interface(parameterCopy); + interface.optimize(); + // Checks consistency + BOOST_CHECK_CLOSE(maquis::real(iTDEnergy), interface.energy(), 1.0E-10); +} + +#ifdef HAVE_U1DG + +/** + * @brief Real-time SS for relativistic Hamiltonians + * Here we check that after 10 sweeps the energy is conserved. + */ +BOOST_FIXTURE_TEST_CASE(TestTwoSiteRealTimeVsTIRelativistic, TestTimeEvolverFixture) { + using S = U1DG; + using TwoSiteTimeEvolution = TwoSiteTimeEvolution; + // We construct everything as is done in [sim.hpp] + auto lat = Lattice(parametersRelativistic); + auto model = Model(lat, parametersRelativistic); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, parametersRelativistic))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // We modify the parameters taken from the fixture class, which are set on the + // imaginary-time case. + parametersRelativistic.set("imaginary_time", "no"); + parametersRelativistic.set("time_units", "as"); + parametersRelativistic.set("TD_backpropagation", "yes"); + // Prepares the boundaries + time_stopper stop_callback(10000.); + auto tsEvolver = TwoSiteTimeEvolution(mps, mpo, parametersRelativistic, stop_callback); + auto energyBefore = expval(mps, mpo)/norm(mps); + for (int iSweep = 0; iSweep < 20; iSweep++) + tsEvolver.evolve_sweep(iSweep); + auto energyAfter = expval(mps, mpo)/norm(mps); + // Checks consistency + BOOST_CHECK_CLOSE(maquis::real(energyBefore), maquis::real(energyAfter), 1.0E-8); +} + +/** + * @brief Imaginary-time TS for relativistic Hamiltonians + * Note that the reference energy is taken from [test_rel] + */ +BOOST_FIXTURE_TEST_CASE(TestSingleSiteImaginaryTimeVsTIRelativistic, TestTimeEvolverFixture) { + using S = U1DG; + using TwoSiteTimeEvolution = TwoSiteTimeEvolution; + // We construct everything as is done in [sim.hpp] + auto lat = Lattice(parametersRelativistic); + auto model = Model(lat, parametersRelativistic); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, parametersRelativistic))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // Prepares the boundaries + time_stopper stop_callback(10000.); + auto tsEvolver = TwoSiteTimeEvolution(mps, mpo, parametersRelativistic, stop_callback); + // We extract the number of sweeps from the parameters to ensure consistency with TI-DMRG + int nSweeps = parametersRelativistic["nsweeps"]; + for (int iSweep = 0; iSweep < nSweeps; iSweep++) + tsEvolver.evolve_sweep(iSweep); + auto iTDEnergy = expval(mps, mpo); + // Checks consistency + BOOST_CHECK_CLOSE(maquis::real(iTDEnergy), -1.0780470133e+02, 1.0E-7); +} + +#endif \ No newline at end of file diff --git a/dmrg/tests/TimeEvolvers/TimeEvolvers.cpp b/dmrg/tests/TimeEvolvers/TimeEvolvers.cpp new file mode 100644 index 000000000..a0d0c5413 --- /dev/null +++ b/dmrg/tests/TimeEvolvers/TimeEvolvers.cpp @@ -0,0 +1,259 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#define BOOST_TEST_MODULE TimeEvolvers + +#include +#include "utils/fpcomparison.h" +#include +#include +#include +#include "dmrg/mp_tensors/boundary.h" +#include "dmrg/mp_tensors/mps.h" +#include "dmrg/mp_tensors/mpo.h" +#include "dmrg/mp_tensors/mps_mpo_ops.h" +#include "dmrg/mp_tensors/siteproblem.h" +#include "dmrg/mp_tensors/zerositeproblem.h" +#include "dmrg/mp_tensors/contractions/engine.h" +#include "dmrg/optimize/ietl_lanczos_solver.h" +#include "dmrg/models/model.h" +#include "dmrg/models/generate_mpo.hpp" +#include "dmrg/sim/matrix_types.h" +#include "dmrg/evolve/TimeEvolvers/timeevolver.h" +#include "Fixtures/TimeEvolversFixture.h" + +typedef boost::mpl::list< +#ifdef HAVE_TwoU1PG +TwoU1PG +#endif +#ifdef HAVE_SU2U1PG +, SU2U1PG +#endif +> symmetries; + +/** Checks that the number of overall blocks of a block_matrix is correct */ +BOOST_AUTO_TEST_CASE_TEMPLATE(TimeEvolversAddTime, S, symmetries) { + // The parameters are not really used + DmrgParameters p; + p.set("site_types", "0,0,0,0"); + p.set("L", 4); + p.set("irrep", 0); + p.set("nsweeps",2); + p.set("max_bond_dimension", 100); + p.set("u1_total_charge1", 1); + p.set("u1_total_charge2", 1); + p.set("hamiltonian_units", "Hartree"); + p.set("time_units", "as"); + p.set("propagator_accuracy", 1.0E-10); + p.set("propagator_maxiter", 10); + p.set("time_step", 1.); + p.set("imaginary_time", "no"); + TimeEvolver timeEvolver(p); + auto gotTimeStep = timeEvolver.get_time(); + // Note that here we have an additional 0.5 factor because we propagate by t/2. + // in the l->r sweep, and then by other t/2. in the r->l sweep. + auto refValue = 1./(2.*24.18884254); + BOOST_CHECK_CLOSE(gotTimeStep, refValue, 1e-7); +} + +/** Checks that the energy of an MPS is conserved after the propagation of a SiteProblem */ +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestEnergyConservationSiteproblem, S, symmetries, TestTimeEvolverFixture) { + // Types declaration + using BoundaryType = Boundary::type, S>; + using contr = contraction::Engine::type, S>; + // The parameters are not really used + DmrgParameters p; + p.set("integrals_binary", maquis::serialize(integrals)); + p.set("site_types", "0,0,0,0"); + p.set("L", 4); + p.set("irrep", 0); + p.set("nsweeps",2); + p.set("max_bond_dimension", 100); + p.set("hamiltonian_units", "Hartree"); + p.set("time_units", "as"); + p.set("propagator_accuracy", 1.0E-20); + p.set("propagator_maxiter", 10); + p.set("time_step", 1.); + p.set("imaginary_time", "no"); + p.set("COMPLEX", 1); + // For SU2U1 + p.set("nelec", 2); + p.set("spin", 0); + // For 2U1 + p.set("u1_total_charge1", 1); + p.set("u1_total_charge2", 1); + // Prepares the lattice and the model. + // In both cases, we construct everything as is done in [sim.hpp] + auto lat = Lattice(p); + auto model = Model(lat, p); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, p))); + auto latticeSize = mpo.length(); + // Prepares the boundaries + std::vector left, right; + left.resize(latticeSize+1); + right.resize(latticeSize+1); + left[0] = mps.left_boundary(); + for (int iSite = 0; iSite < latticeSize; iSite++) + left[iSite+1] = contr::overlap_mpo_left_step(mps[iSite], mps[iSite], left[iSite], mpo[iSite]); + right[latticeSize] = mps.right_boundary(); + for (int iSite = latticeSize-1; iSite >= 0; iSite--) + right[iSite] = contr::overlap_mpo_right_step(mps[iSite], mps[iSite], right[iSite+1], mpo[iSite]); + // Calculates the energy from the SiteProblem + SiteProblem sp0(left[0], right[1], mpo[0]); + auto initialEnergy = maquis::real(expval(mps, mpo)); + // Prepares the TimeEvolver and forwards propagates it + auto timeEvolver = TimeEvolver(p); + timeEvolver.evolve(sp0, mps[0], true); + // Calculates the final energy from the apply method + auto sigmaVector = sp0.apply(mps[0]); + auto intermediateEnergy = maquis::real(ietl::dot(mps[0], sigmaVector)) + mpo.getCoreEnergy(); + BOOST_CHECK_CLOSE(initialEnergy, intermediateEnergy, 1e-10); + // Calculates the final energy as expval + auto finalEnergy = maquis::real(expval(mps, mpo)); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1e-10); + // And now with the back-propagation + timeEvolver.evolve(sp0, mps[0], false); + finalEnergy = maquis::real(expval(mps, mpo)); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1e-10); +} + +/** Checks that the energy of an MPS is conserved after the propagation of a ZeroSiteProblem */ +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestEnergyConservationZeroSiteproblem, S, symmetries, TestTimeEvolverFixture) { + // Types declaration + using BoundaryType = Boundary::type, S>; + using contr = contraction::Engine::type, S>; + // The parameters are not really used + DmrgParameters p; + p.set("integrals_binary", maquis::serialize(integrals)); + p.set("site_types", "0,0,0,0"); + p.set("L", 4); + p.set("irrep", 0); + p.set("nsweeps",2); + p.set("max_bond_dimension", 100); + p.set("hamiltonian_units", "Hartree"); + p.set("time_units", "as"); + p.set("propagator_accuracy", 1.0E-20); + p.set("propagator_maxiter", 10); + p.set("time_step", 1.); + p.set("imaginary_time", "no"); + p.set("COMPLEX", 1); + // For SU2U1 + p.set("nelec", 2); + p.set("spin", 0); + // For 2U1 + p.set("u1_total_charge1", 1); + p.set("u1_total_charge2", 1); + // Prepares the lattice and the model. + // In both cases, we construct everything as is done in [sim.hpp] + auto lat = Lattice(p); + auto model = Model(lat, p); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, p))); + auto latticeSize = mpo.length(); + auto initialEnergy = maquis::real(expval(mps, mpo)); + // Prepares the boundaries + std::vector left, right; + left.resize(latticeSize+1); + right.resize(latticeSize+1); + left[0] = mps.left_boundary(); + for (int iSite = 0; iSite < latticeSize; iSite++) + left[iSite+1] = contr::overlap_mpo_left_step(mps[iSite], mps[iSite], left[iSite], mpo[iSite]); + right[latticeSize] = mps.right_boundary(); + for (int iSite = latticeSize-1; iSite >= 0; iSite--) + right[iSite] = contr::overlap_mpo_right_step(mps[iSite], mps[iSite], right[iSite+1], mpo[iSite]); + // Calculates the energy from the ZeroSiteProblem + block_matrix UMat, VMat, QMat, RMat; + block_matrix::type, S> SMat; + mps[0].make_left_paired(); + qr(mps[0].data(), QMat, RMat); + mps[0].replace_left_paired(QMat); + left[1] = contr::overlap_mpo_left_step(mps[0], mps[0], left[0], mpo[0]); + ZeroSiteProblem zsp(mpo[0], mpo[1], left[1], right[1]); + // Prepares the TimeEvolver and forwards propagates it + auto timeEvolver = TimeEvolver(p); + timeEvolver.evolve(zsp, RMat, true); + auto sigmaVectorBM = zsp.apply(RMat); + auto finalEnergy = maquis::real(sigmaVectorBM.scalar_overlap(RMat)) + mpo.getCoreEnergy(); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1e-10); +} + +/** Checks that the energy decreases if the imaginary-time propagation is performed */ +BOOST_FIXTURE_TEST_CASE_TEMPLATE(TestEnergyDecreaseSiteproblem, S, symmetries, TestTimeEvolverFixture) { + // Types declaration + using BoundaryType = Boundary::type, S>; + using contr = contraction::Engine::type, S>; + // The parameters are not really used + DmrgParameters p; + p.set("integrals_binary", maquis::serialize(integrals)); + p.set("site_types", "0,0,0,0"); + p.set("L", 4); + p.set("irrep", 0); + p.set("nsweeps",2); + p.set("max_bond_dimension", 100); + p.set("hamiltonian_units", "Hartree"); + p.set("time_units", "as"); + p.set("propagator_accuracy", 1.0E-20); + p.set("propagator_maxiter", 10); + p.set("time_step", 1.); + p.set("imaginary_time", "yes"); + p.set("COMPLEX", 1); + // For SU2U1 + p.set("nelec", 2); + p.set("spin", 0); + // For 2U1 + p.set("u1_total_charge1", 1); + p.set("u1_total_charge2", 1); + // Prepares the lattice and the model. + // In both cases, we construct everything as is done in [sim.hpp] + auto lat = Lattice(p); + auto model = Model(lat, p); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, p))); + auto latticeSize = mpo.length(); + mps.normalize_right(); + // Prepares the boundaries + std::vector left, right; + left.resize(latticeSize+1); + right.resize(latticeSize+1); + left[0] = mps.left_boundary(); + for (int iSite = 0; iSite < latticeSize; iSite++) + left[iSite+1] = contr::overlap_mpo_left_step(mps[iSite], mps[iSite], left[iSite], mpo[iSite]); + right[latticeSize] = mps.right_boundary(); + for (int iSite = latticeSize-1; iSite >= 0; iSite--) + right[iSite] = contr::overlap_mpo_right_step(mps[iSite], mps[iSite], right[iSite+1], mpo[iSite]); + // Calculates the energy from the SiteProblem + SiteProblem sp0(left[0], right[1], mpo[0]); + auto initialEnergy = maquis::real(expval(mps, mpo)); + // Prepares the TimeEvolver and forwards propagates it + auto timeEvolver = TimeEvolver(p); + BOOST_TEST(timeEvolver.isImag()); + timeEvolver.evolve(sp0, mps[0], false); + mps[0] /= ietl::two_norm(mps[0]); + // Calculates the final energy as expval + auto finalEnergy = maquis::real(expval(mps, mpo)); + BOOST_TEST(finalEnergy < initialEnergy); +} \ No newline at end of file diff --git a/dmrg/tests/old/applications/CMakeLists.txt b/dmrg/tests/old/applications/CMakeLists.txt index e56e37272..3de93aeea 100644 --- a/dmrg/tests/old/applications/CMakeLists.txt +++ b/dmrg/tests/old/applications/CMakeLists.txt @@ -2,10 +2,6 @@ if(BUILD_DMRG) add_subdirectory(dmrg) endif(BUILD_DMRG) -if(BUILD_TIME_EVOLUTION) - add_subdirectory(dmrg_tevol) -endif(BUILD_TIME_EVOLUTION) - #if(BUILD_MULTIGRID) # add_subdirectory(multigrid) #endif(BUILD_MULTIGRID) diff --git a/dmrg/tests/test_imaginarytime.cpp b/dmrg/tests/test_imaginarytime.cpp new file mode 100644 index 000000000..3f5e50270 --- /dev/null +++ b/dmrg/tests/test_imaginarytime.cpp @@ -0,0 +1,123 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#define BOOST_TEST_MAIN + +#include +#include "utils/fpcomparison.h" +#include "utils/io.hpp" +#include +#include "maquis_dmrg.h" +#include "Fixtures/BenzeneFixture.h" +#include "Fixtures/TimeEvolversFixture.h" +#include "Fixtures/PreBOTimeEvolversFixture.h" + +/** + * @brief Tests that iTD-DMRG and TI-DMRG give the same energy. + * + * The data are obtained for CAS(6, 6) and based on the cc-pVDZ basis set. + * The data are stored in the BenzeneFixture class. + */ +BOOST_FIXTURE_TEST_CASE( TestImaginaryTime, BenzeneFixture ) +{ + std::vector symmetries; + #ifdef HAVE_SU2U1PG + symmetries.push_back("su2u1pg"); + #endif + #ifdef HAVE_SU2U1 + symmetries.push_back("su2u1"); + #endif + #ifdef HAVE_TwoU1PG + symmetries.push_back("2u1pg"); + #endif + #ifdef HAVE_TwoU1 + symmetries.push_back("2u1"); + #endif + + for (auto&& s: symmetries) { + maquis::cout << "Running imaginary-time evolution test for symmetry " << s << std::endl; + parametersBenzeneImaginaryTime.set("symmetry", s); + parametersBenzene.set("symmetry", s); + maquis::DMRGInterface realInterface(parametersBenzene); + maquis::DMRGInterface> complexInterface(parametersBenzeneImaginaryTime); + realInterface.optimize(); + complexInterface.evolve(); + // Test energy conservation + auto TIEnergy = std::real(realInterface.energy()); + auto iTDEnergy = std::real(complexInterface.energy()); + BOOST_CHECK_CLOSE(TIEnergy, iTDEnergy, 1.0E-10); + } +} + +#ifdef HAVE_U1DG + +/** + * @brief Tests that the energy is conserved along a relativistic TD-DMRG propagation. + * The data are obtained for N2+ and the 3-21G basis set. + */ +BOOST_FIXTURE_TEST_CASE( TestImaginaryTimeRelativistic, TestTimeEvolverFixture ) +{ + // Two-site evolutions + parametersRelativistic.set("optimization", "twosite"); + parametersRelativistic.set("time_step", 10.); + parametersRelativistic.set("nsweeps", 40); + // TD + maquis::DMRGInterface> interfaceTD(parametersRelativistic); + interfaceTD.evolve(); + auto energyTD = std::real(interfaceTD.energy()); + // TI + maquis::DMRGInterface> interfaceTI(parametersRelativistic); + interfaceTI.optimize(); + auto energyTI = std::real(interfaceTI.energy()); + // The threshold is here a bit looser because the iTD-DMRG convergence is rather slow + BOOST_CHECK_CLOSE(energyTD, energyTI, 1.0E-8); +} + +#endif // HAVE_U1DG + +#ifdef DMRG_PREBO + +/** + * @brief Tests that the energy is conserved along a "true" PreBO TD-DMRG propagation. + */ +BOOST_FIXTURE_TEST_CASE( TestImaginaryTimePreBO, PreBOTestTimeEvolverFixture ) +{ + // Generic settings + parametersPreBOComplex.set("optimization", "twosite"); + parametersPreBOReal.set("optimization", "twosite"); + maquis::DMRGInterface realInterface(parametersPreBOReal); + maquis::DMRGInterface> complexInterface(parametersPreBOComplex); + maquis::cout << "Running conventional DMRG optimization test for PreBO model" << std::endl; + realInterface.optimize(); + maquis::cout << "Running imaginary-time evolution for PreBO model " << std::endl; + complexInterface.evolve(); + // Test energy conservation + auto TIEnergy = std::real(realInterface.energy()); + auto iTDEnergy = std::real(complexInterface.energy()); + BOOST_CHECK_CLOSE(TIEnergy, iTDEnergy, 1.0E-10); +} + +#endif // DMRG_PREBO \ No newline at end of file diff --git a/dmrg/tests/test_mps_mpo_ops/test_siteproblem.cpp b/dmrg/tests/test_mps_mpo_ops/test_siteproblem.cpp new file mode 100644 index 000000000..e51965578 --- /dev/null +++ b/dmrg/tests/test_mps_mpo_ops/test_siteproblem.cpp @@ -0,0 +1,173 @@ +/***************************************************************************** +* +* ALPS MPS DMRG Project +* +* Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich +* 2021 Alberto Baiardi +* +* This software is part of the ALPS Applications, published under the ALPS +* Application License; you can use, redistribute it and/or modify it under +* the terms of the license, either version 1 or (at your option) any later +* version. +* +* You should have received a copy of the ALPS Application License along with +* the ALPS Applications; see the file LICENSE.txt. If not, the license is also +* available from http://alps.comp-phys.org/. +* +* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +* FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT +* SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE +* FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, +* ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +* DEALINGS IN THE SOFTWARE. +* +*****************************************************************************/ + +#define BOOST_TEST_MAIN + +#include +#include "utils/fpcomparison.h" +#include +#include +#include +#include "dmrg/mp_tensors/boundary.h" +#include "dmrg/mp_tensors/mps.h" +#include "dmrg/mp_tensors/mpo.h" +#include "dmrg/mp_tensors/mps_mpo_ops.h" +#include "dmrg/mp_tensors/siteproblem.h" +#include "dmrg/mp_tensors/zerositeproblem.h" +#include "dmrg/mp_tensors/contractions/engine.h" +#include "dmrg/optimize/ietl_lanczos_solver.h" +#include "dmrg/models/model.h" +#include "dmrg/models/generate_mpo.hpp" +#include "dmrg/sim/matrix_types.h" + +#include "test_siteproblem_fixture.h" + +typedef boost::mpl::list< +#ifdef HAVE_TwoU1PG +TwoU1PG +#endif +#ifdef HAVE_SU2U1PG +, SU2U1PG +#endif +> symmetries; + +BOOST_AUTO_TEST_CASE_TEMPLATE( Test_SiteProblem, S, symmetries) +{ + // Types definition + using BoundaryType = Boundary::type, S>; + using contr = contraction::Engine::type, S>; + // The integral file is taken from + DmrgParameters p; + const auto& integrals = TestSiteproblemFixture::integrals; + p.set("integrals_binary", maquis::serialize(integrals)); + p.set("site_types", "0,0,0,0"); + p.set("L", 4); + p.set("irrep", 0); + p.set("nsweeps",2); + p.set("max_bond_dimension",100); + // For SU2U1 + p.set("nelec", 2); + p.set("spin", 0); + // For 2U1 + p.set("u1_total_charge1", 1); + p.set("u1_total_charge2", 1); + // Prepares the lattice and the model. + // In both cases, we construct everything as is done in [sim.hpp] + auto lat = Lattice(p); + auto model = Model(lat, p); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, p))); + BOOST_CHECK_EQUAL(mps.size(), mpo.size()); + // Moves the normalization to the second site + mps.normalize_right(); + auto overlap1 = norm(mps); + auto overlap2 = mps[0].scalar_overlap(mps[0]); + BOOST_CHECK_CLOSE(overlap1, overlap2, 1e-10); + // Calculates the energy + auto energy = expval(mps, mpo); + auto latticeSize = mpo.length(); + // Prepares the boundaries + std::vector left, right; + left.resize(latticeSize+1); + right.resize(latticeSize+1); + left[0] = mps.left_boundary(); + for (int iSite = 0; iSite < latticeSize; iSite++) + left[iSite+1] = contr::overlap_mpo_left_step(mps[iSite], mps[iSite], left[iSite], mpo[iSite]); + right[latticeSize] = mps.right_boundary(); + for (int iSite = latticeSize-1; iSite >= 0; iSite--) + right[iSite] = contr::overlap_mpo_right_step(mps[iSite], mps[iSite], right[iSite+1], mpo[iSite]); + // Calculates the energy from the SiteProblem + SiteProblem sp0(left[0], right[1], mpo[0]); + auto sigmaVector = sp0.apply(mps[0]); + auto energy2 = ietl::dot(sigmaVector, mps[0]) + mpo.getCoreEnergy(); + BOOST_CHECK_CLOSE(energy, energy2, 1e-10); + energy2 = sp0.get_energy(mps[0]) + mpo.getCoreEnergy(); + BOOST_CHECK_CLOSE(energy, energy2, 1e-10); + // Next site + SiteProblem sp1(left[1], right[2], mpo[1]); + sigmaVector = sp1.apply(mps[1]); + energy2 = ietl::dot(sigmaVector, mps[1]) + mpo.getCoreEnergy(); + BOOST_CHECK_CLOSE(energy, energy2, 1e-10); +} + +BOOST_AUTO_TEST_CASE_TEMPLATE( Test_ZeroSiteProblem, S, symmetries) +{ + // Types definition + using BoundaryType = Boundary::type, S>; + using contr = contraction::Engine::type, S>; + // The integral file is taken from + DmrgParameters p; + const auto& integrals = TestSiteproblemFixture::integrals; + p.set("integrals_binary", maquis::serialize(integrals)); + p.set("site_types", "0,0,0,0"); + p.set("L", 4); + p.set("irrep", 0); + p.set("nsweeps",2); + p.set("max_bond_dimension", 100); + // For SU2U1 + p.set("nelec", 2); + p.set("spin", 0); + // For 2U1 + p.set("u1_total_charge1", 1); + p.set("u1_total_charge2", 1); + // Prepares the lattice and the model. + // In both cases, we construct everything as is done in [sim.hpp] + auto lat = Lattice(p); + auto model = Model(lat, p); + auto mpo = make_mpo(lat, model); + auto mps = MPS(lat.size(), *(model.initializer(lat, p))); + BOOST_CHECK_EQUAL(mps.size(), mpo.size()); + // Moves the normalization to the second site + mps.normalize_right(); + auto overlap1 = norm(mps); + auto overlap2 = mps[0].scalar_overlap(mps[0]); + BOOST_CHECK_CLOSE(overlap1, overlap2, 1e-10); + // Calculates the energy + auto energy = expval(mps, mpo); + auto latticeSize = mpo.length(); + // Prepares the boundaries + std::vector left, right; + left.resize(latticeSize+1); + right.resize(latticeSize+1); + left[0] = mps.left_boundary(); + for (int iSite = 0; iSite < latticeSize; iSite++) + left[iSite+1] = contr::overlap_mpo_left_step(mps[iSite], mps[iSite], left[iSite], mpo[iSite]); + right[latticeSize] = mps.right_boundary(); + for (int iSite = latticeSize-1; iSite >= 0; iSite--) + right[iSite] = contr::overlap_mpo_right_step(mps[iSite], mps[iSite], right[iSite+1], mpo[iSite]); + // Calculates the energy from the ZeroSiteProblem + block_matrix UMat, VMat, QMat, RMat; + block_matrix::type, S> SMat; + mps[0].make_left_paired(); + qr(mps[0].data(), QMat, RMat); + mps[0].replace_left_paired(QMat); + left[1] = contr::overlap_mpo_left_step(mps[0], mps[0], left[0], mpo[0]); + gemm(SMat, VMat, UMat); + ZeroSiteProblem zsp(mpo[0], mpo[1], left[1], right[1]); + auto sigmaVectorBM = zsp.apply(RMat); + auto energy3 = sigmaVectorBM.scalar_overlap(RMat) + mpo.getCoreEnergy(); + BOOST_CHECK_CLOSE(energy, energy3, 1e-10); +} \ No newline at end of file diff --git a/dmrg/tests/test_mps_mpo_ops/test_siteproblem_fixture.h b/dmrg/tests/test_mps_mpo_ops/test_siteproblem_fixture.h new file mode 100644 index 000000000..d0d6204c7 --- /dev/null +++ b/dmrg/tests/test_mps_mpo_ops/test_siteproblem_fixture.h @@ -0,0 +1,109 @@ +/***************************************************************************** +* +* ALPS MPS DMRG Project +* +* Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich +* 2021- by Alberto Baiardi +* +* This software is part of the ALPS Applications, published under the ALPS +* Application License; you can use, redistribute it and/or modify it under +* the terms of the license, either version 1 or (at your option) any later +* version. +* +* You should have received a copy of the ALPS Application License along with +* the ALPS Applications; see the file LICENSE.txt. If not, the license is also +* available from http://alps.comp-phys.org/. +* +* THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +* IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +* FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT +* SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE +* FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, +* ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER +* DEALINGS IN THE SOFTWARE. +* +*****************************************************************************/ + +#ifndef TEST_SITEPROBLEM_FIXTURE_H +#define TEST_SITEPROBLEM_FIXTURE_H + +#include "maquis_dmrg.h" + +/** @brief Fixture with the objects used in the SiteProblem tests */ +class TestSiteproblemFixture +{ +public: + using IntegralMapType = typename maquis::integral_map; + static const IntegralMapType integrals; +}; + +const typename TestSiteproblemFixture::IntegralMapType TestSiteproblemFixture::integrals = maquis::integral_map { + { { 1, 1, 1, 1 }, 0.597263715971 }, + { { 1, 1, 2, 1 }, 0.106899493032E-01 }, + { { 2, 1, 2, 1 }, 0.215106203079E-02 }, + { { 2, 2, 2, 1 }, 0.310109624236E-02 }, + { { 1, 1, 2, 2 }, 0.205585394307 }, + { { 2, 2, 2, 2 }, 0.266391740477 }, + { { 1, 1, 3, 1 }, -0.294917730728E-08 }, + { { 2, 1, 3, 1 }, 0.185509604436E-07 }, + { { 2, 2, 3, 1 }, -0.437276233593E-07 }, + { { 3, 1, 3, 1 }, 0.983873746561E-01 }, + { { 3, 2, 3, 1 }, -0.550389961495E-02 }, + { { 3, 3, 3, 1 }, -0.148187533022E-07 }, + { { 1, 1, 3, 2 }, 0.656187599279E-07 }, + { { 2, 1, 3, 2 }, -0.686302758417E-08 }, + { { 2, 2, 3, 2 }, -0.185120456521E-07 }, + { { 3, 2, 3, 2 }, 0.329840207584E-02 }, + { { 3, 3, 3, 2 }, 0.705823689976E-07 }, + { { 1, 1, 3, 3 }, 0.505228366944 }, + { { 2, 1, 3, 3 }, 0.402391626267E-02 }, + { { 2, 2, 3, 3 }, 0.207289323817 }, + { { 3, 3, 3, 3 }, 0.485199794875 }, + { { 1, 1, 4, 1 }, -0.179578099756 }, + { { 2, 1, 4, 1 }, -0.968917151241E-02 }, + { { 2, 2, 4, 1 }, -0.985834429751E-02 }, + { { 3, 1, 4, 1 }, 0.166302185468E-07 }, + { { 3, 2, 4, 1 }, -0.125974448467E-07 }, + { { 3, 3, 4, 1 }, -0.113847869990 }, + { { 4, 1, 4, 1 }, 0.118352897835 }, + { { 4, 2, 4, 1 }, 0.102654021605E-01 }, + { { 4, 3, 4, 1 }, -0.130590354090E-07 }, + { { 4, 4, 4, 1 }, -0.121351408757 }, + { { 1, 1, 4, 2 }, -0.350908680238E-01 }, + { { 2, 1, 4, 2 }, 0.232966449115E-02 }, + { { 2, 2, 4, 2 }, 0.137817149158E-01 }, + { { 3, 1, 4, 2 }, 0.112151199425E-07 }, + { { 3, 2, 4, 2 }, -0.240005477894E-07 }, + { { 3, 3, 4, 2 }, -0.312450484337E-01 }, + { { 4, 2, 4, 2 }, 0.123070217302E-01 }, + { { 4, 3, 4, 2 }, -0.474523186140E-09 }, + { { 4, 4, 4, 2 }, -0.249154148625E-01 }, + { { 1, 1, 4, 3 }, 0.405834174486E-07 }, + { { 2, 1, 4, 3 }, 0.416033554153E-08 }, + { { 2, 2, 4, 3 }, -0.294525852258E-07 }, + { { 3, 1, 4, 3 }, -0.444089181829E-02 }, + { { 3, 2, 4, 3 }, -0.612942989364E-02 }, + { { 3, 3, 4, 3 }, 0.350197853722E-07 }, + { { 4, 3, 4, 3 }, 0.251137992170E-01 }, + { { 4, 4, 4, 3 }, 0.323896546368E-07 }, + { { 1, 1, 4, 4 }, 0.450421787348 }, + { { 2, 1, 4, 4 }, 0.671517333359E-02 }, + { { 2, 2, 4, 4 }, 0.195606443342 }, + { { 3, 1, 4, 4 }, 0.185362625807E-08 }, + { { 3, 2, 4, 4 }, 0.419234994857E-07 }, + { { 3, 3, 4, 4 }, 0.382638069339 }, + { { 4, 4, 4, 4 }, 0.370380122890 }, + { { 1, 1, 0, 0 }, -0.876082926130 }, + { { 2, 1, 0, 0 }, 0.928246209082E-02 }, + { { 2, 2, 0, 0 }, -0.383002645306 }, + { { 3, 1, 0, 0 }, 0.110478689971E-07 }, + { { 3, 2, 0, 0 }, -0.838075467983E-07 }, + { { 3, 3, 0, 0 }, -0.192723200850 }, + { { 4, 1, 0, 0 }, 0.118275609870 }, + { { 4, 2, 0, 0 }, 0.539573313879E-01 }, + { { 4, 3, 0, 0 }, -0.670886115563E-07 }, + { { 4, 4, 0, 0 }, -0.240135259399 }, + { { 0, 0, 0, 0 }, -6.71049529388 } +}; + +#endif \ No newline at end of file diff --git a/dmrg/tests/test_realtime.cpp b/dmrg/tests/test_realtime.cpp new file mode 100644 index 000000000..c553c9c40 --- /dev/null +++ b/dmrg/tests/test_realtime.cpp @@ -0,0 +1,172 @@ +/***************************************************************************** + * + * ALPS MPS DMRG Project + * + * Copyright (C) 2021 Institute for Theoretical Physics, ETH Zurich + * 2021 by Alberto Baiardi + * + * This software is part of the ALPS Applications, published under the ALPS + * Application License; you can use, redistribute it and/or modify it under + * the terms of the license, either version 1 or (at your option) any later + * version. + * + * You should have received a copy of the ALPS Application License along with + * the ALPS Applications; see the file LICENSE.txt. If not, the license is also + * available from http://alps.comp-phys.org/. + * + * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR + * IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, + * FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT. IN NO EVENT + * SHALL THE COPYRIGHT HOLDERS OR ANYONE DISTRIBUTING THE SOFTWARE BE LIABLE + * FOR ANY DAMAGES OR OTHER LIABILITY, WHETHER IN CONTRACT, TORT OR OTHERWISE, + * ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER + * DEALINGS IN THE SOFTWARE. + * + *****************************************************************************/ + +#define BOOST_TEST_MAIN + +#include +#include "utils/fpcomparison.h" +#include "utils/io.hpp" +#include +#include "maquis_dmrg.h" +#include "Fixtures/BenzeneFixture.h" +#include "Fixtures/TimeEvolversFixture.h" +#include "Fixtures/PreBOTimeEvolversFixture.h" + +/** + * @brief Tests that the energy is conserved along a TD-DMRG propagation. + * + * The data are obtained for CAS(6, 6) and based on the cc-pVDZ basis set. + * The data are stored in the BenzeneFixture class. + */ +BOOST_FIXTURE_TEST_CASE( TestRealTime, BenzeneFixture ) +{ + std::vector symmetries; + #ifdef HAVE_SU2U1PG + symmetries.push_back("su2u1pg"); + #endif + #ifdef HAVE_SU2U1 + symmetries.push_back("su2u1"); + #endif + #ifdef HAVE_TwoU1PG + symmetries.push_back("2u1pg"); + #endif + #ifdef HAVE_TwoU1 + symmetries.push_back("2u1"); + #endif + for (auto&& s: symmetries) { + parametersBenzeneRealTime.set("symmetry", s); + // Single-site evolution + maquis::cout << "Running SS real-time evolution test for symmetry " << s << std::endl; + parametersBenzeneRealTime.set("optimization", "singlesite"); + maquis::DMRGInterface> interfaceSS(parametersBenzeneRealTime); + auto initialEnergy = std::real(interfaceSS.energy()); + interfaceSS.evolve(); + auto finalEnergy = std::real(interfaceSS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-8); + // Two-site evolution + maquis::cout << "Running TS real-time evolution test for symmetry " << s << std::endl; + parametersBenzeneRealTime.set("optimization", "twosite"); + maquis::DMRGInterface> interfaceTS(parametersBenzeneRealTime); + initialEnergy = std::real(interfaceTS.energy()); + interfaceTS.evolve(); + finalEnergy = std::real(interfaceTS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-10); + } +} + +#ifdef HAVE_U1DG + +/** + * @brief Tests that the energy is conserved along a relativistic TD-DMRG propagation. + * The data are obtained for N2+ and the 3-21G basis set. + */ +BOOST_FIXTURE_TEST_CASE( TestRealTimeRelativistic, TestTimeEvolverFixture ) +{ + // Generic settings + parametersRelativistic.set("imaginary_time", "no"); + parametersRelativistic.set("TD_backpropagation", "yes"); + parametersRelativistic.set("time_units", "as"); + parametersRelativistic.set("time_step", 1.0E+00); + // Single-site evolution + parametersRelativistic.set("optimization", "singlesite"); + maquis::DMRGInterface> interfaceSS(parametersRelativistic); + auto initialEnergy = std::real(interfaceSS.energy()); + interfaceSS.evolve(); + auto finalEnergy = std::real(interfaceSS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-10); + // Two-site evolutions + parametersRelativistic.set("optimization", "twosite"); + maquis::DMRGInterface> interfaceTS(parametersRelativistic); + initialEnergy = std::real(interfaceTS.energy()); + interfaceTS.evolve(); + finalEnergy = std::real(interfaceTS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-10); +} + +#endif + +#ifdef DMRG_PREBO + +/** + * @brief Tests that the energy is conserved along a PreBO TD-DMRG propagation. + * + * Note that this example uses the BO hamiltonian for H2 in a minimal basis set - i.e., + * only electrons are included. + */ +BOOST_FIXTURE_TEST_CASE( TestRealTimePreBOWithBOHamiltonian, PreBOTestTimeEvolverFixture ) +{ + // Generic settings + parametersBOComplex.set("imaginary_time", "no"); + parametersBOComplex.set("TD_backpropagation", "yes"); + parametersBOComplex.set("time_units", "as"); + parametersBOComplex.set("time_step", 1.0E+00); + // Single-site evolution + maquis::cout << "Running SS real-time evolution test for PreBO model " << std::endl; + parametersBOComplex.set("optimization", "singlesite"); + maquis::DMRGInterface> interfaceSS(parametersBOComplex); + auto initialEnergy = std::real(interfaceSS.energy()); + interfaceSS.evolve(); + auto finalEnergy = std::real(interfaceSS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-10); + // Two-site evolutions + maquis::cout << "Running TS real-time evolution test for PreBO model" << std::endl; + parametersBOComplex.set("optimization", "twosite"); + maquis::DMRGInterface> interfaceTS(parametersBOComplex); + initialEnergy = std::real(interfaceTS.energy()); + interfaceTS.evolve(); + finalEnergy = std::real(interfaceTS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-10); +} + +/** + * @brief Tests that the energy is conserved along a "true" PreBO TD-DMRG propagation. + */ +BOOST_FIXTURE_TEST_CASE( TestRealTimePreBO, PreBOTestTimeEvolverFixture ) +{ + // Generic settings + parametersPreBOComplex.set("imaginary_time", "no"); + parametersPreBOComplex.set("TD_backpropagation", "yes"); + parametersPreBOComplex.set("time_units", "as"); + parametersPreBOComplex.set("time_step", 1.0E+00); + // Single-site evolution + maquis::cout << "Running SS real-time evolution test for PreBO model " << std::endl; + parametersPreBOComplex.set("optimization", "singlesite"); + maquis::DMRGInterface> interfaceSS(parametersPreBOComplex); + auto initialEnergy = std::real(interfaceSS.energy()); + interfaceSS.evolve(); + auto finalEnergy = std::real(interfaceSS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-10); + // Two-site evolutions + maquis::cout << "Running TS real-time evolution test for PreBO model" << std::endl; + parametersPreBOComplex.set("optimization", "twosite"); + maquis::DMRGInterface> interfaceTS(parametersPreBOComplex); + initialEnergy = std::real(interfaceTS.energy()); + interfaceTS.evolve(); + finalEnergy = std::real(interfaceTS.energy()); + BOOST_CHECK_CLOSE(initialEnergy, finalEnergy, 1.0E-10); +} + +#endif // DMRG_PREBO \ No newline at end of file diff --git a/examples/TD-DMRG/Benzene_6e6o.TD.SS.inp b/examples/TD-DMRG/Benzene_6e6o.TD.SS.inp new file mode 100644 index 000000000..54b52e9f4 --- /dev/null +++ b/examples/TD-DMRG/Benzene_6e6o.TD.SS.inp @@ -0,0 +1,44 @@ +// +---------------------------------------------------+ +// EXAMPLE 1: Real-time DMRG with CAS(6,6) for benzene +// +---------------------------------------------------+ + +// -- General parameters -- +L = 6 +max_bond_dimension = 100 +nsweeps = 40 +irrep = 0 +nelec = 6 +spin = 0 +symmetry = 'su2u1pg' +LATTICE = "orbitals" +CONSERVED_QUANTUMNUMBERS = "Nup,Ndown" +MODEL = "quantum_chemistry" +integral_file = "FCIDUMP_Benzene_631Gs_CAS6-6" +lattice_library = "coded" +model_library = "coded" +optimization = singlesite +use_compressed = 0 +conv_thresh = 0.100000E-40 + +// -- SVD truncation -- +truncation_initial = 1e-50 +truncation_final = 1e-50 + +// -- Initialization and storage information -- +init_state = 'default' +chkpfile = 'Benzene_6e6o.TD.SS.checkpoint_state.0.h5' +resultfile = 'Benzene_6e6o.TD.SS.results_state.0.h5' + +// -- Jacobi-Davidson parameters -- +ietl_jcd_maxiter = 10 +ietl_jcd_tol = 1e-8 +conv_thresh = -1 +integral_cutoff = 1e-300 + +// -- Time-dependent simulation -- +simulation_type = TD +propagator_accuracy = 1.0E-10 +propagator_maxiter = 10 +time_step = 1 +hamiltonian_units = "Hartree" +time_units = "as" diff --git a/examples/TD-DMRG/Benzene_6e6o.TD.SS.out b/examples/TD-DMRG/Benzene_6e6o.TD.SS.out new file mode 100644 index 000000000..45b8c79d7 --- /dev/null +++ b/examples/TD-DMRG/Benzene_6e6o.TD.SS.out @@ -0,0 +1,12547 @@ + SCINE QCMaquis + Quantum Chemical Density Matrix Renormalization group + available from https://scine.ethz.ch/download/qcmaquis + based on the ALPS MPS codes from http://alps.comp-phys.org/ + copyright (c) 2015-2018 Laboratory of Physical Chemistry, ETH Zurich + copyright (c) 2012-2016 by Sebastian Keller + copyright (c) 2016-2021 by Alberto Baiardi, Leon Freitag, + Stefan Knecht, Yingjin Ma + for details see the publication: + A. Baiardi, J. Chem. Theory Comput. 17, 3320 (2021) + +This binary contains symmetries: 2u1pg su2u1pg +DMRG version 3.0.3-c9226cb4dd8f33d7d233f08719e042f47097dbf3 (TDDMRG-Merge) release-3.0.2-gitlab +Temporary storage is disabled +The hamiltonian will contain 673 terms +MPO Bond 0: 48/17 +MPO Bond 1: 54/20 +MPO Bond 2: 68/27 +MPO Bond 3: 90/38 +MPO Bond 4: 10/3 +MPO Bond 5: 1/0 +Right end: <6,0,0> +MPS initialization has finished... +Partial initialization of boundaries completed. +Full initialization of boundaries completed. +Done init_left_right + +-----------------------------------+ + Sweep number 1 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6463E-01 + 2 | 1.0820E-06 + 3 | 5.6335E-26 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6463E-01 + 2 | 1.0820E-06 + 3 | 4.4283E-26 ++------------+------------+ + Sweep has been running for 0.001403187 seconds. + +Memory usage : 195716 195716 + +-----------------------------------+ + Sweep number 1 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2684E-01 + 2 | 6.1220E-06 + 3 | 4.2796E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2684E-01 + 2 | 6.1220E-06 + 3 | 4.2796E-11 ++------------+------------+ + Sweep has been running for 0.005416687 seconds. + +Memory usage : 195716 195716 + +-----------------------------------+ + Sweep number 1 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9152E-01 + 2 | 1.5422E-05 + 3 | 3.7920E-10 + 4 | 5.9739E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8966E-01 + 2 | 1.5097E-05 + 3 | 3.6345E-10 + 4 | 5.5817E-15 ++------------+------------+ + Sweep has been running for 0.020231422 seconds. + +Memory usage : 195848 195848 + +-----------------------------------+ + Sweep number 1 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9168E-01 + 2 | 1.5309E-05 + 3 | 3.7090E-10 + 4 | 5.7066E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1054E-01 + 2 | 5.1749E-06 + 3 | 4.1787E-11 ++------------+------------+ + Sweep has been running for 0.033375247 seconds. + +Memory usage : 195848 195848 + +-----------------------------------+ + Sweep number 1 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1054E-01 + 2 | 5.1749E-06 + 3 | 4.1787E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7230E-07 + 3 | 1.0783E-26 ++------------+------------+ + Sweep has been running for 0.036488818 seconds. + +Memory usage : 195848 195848 + +-----------------------------------+ + Sweep number 1 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7230E-07 + 3 | 1.6986E-26 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.036925906 seconds. + +Memory usage : 195848 195848 + +-----------------------------------+ + Sweep number 2 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7230E-07 + 3 | 1.0783E-26 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7230E-07 + 3 | 1.1317E-26 ++------------+------------+ + Sweep has been running for 0.037543479 seconds. + +Memory usage : 195848 195848 + +-----------------------------------+ + Sweep number 2 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1054E-01 + 2 | 5.1749E-06 + 3 | 4.1787E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1054E-01 + 2 | 5.1749E-06 + 3 | 4.1787E-11 ++------------+------------+ + Sweep has been running for 0.041554307 seconds. + +Memory usage : 195848 195848 + +-----------------------------------+ + Sweep number 2 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9168E-01 + 2 | 1.5309E-05 + 3 | 3.7090E-10 + 4 | 5.7066E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8995E-01 + 2 | 1.5103E-05 + 3 | 3.6219E-10 + 4 | 5.5615E-15 ++------------+------------+ + Sweep has been running for 0.057336386 seconds. + +Memory usage : 195980 195980 + +-----------------------------------+ + Sweep number 2 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9182E-01 + 2 | 1.5431E-05 + 3 | 3.7774E-10 + 4 | 5.9437E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2467E-01 + 2 | 5.5912E-06 + 3 | 3.8874E-11 ++------------+------------+ + Sweep has been running for 0.069331032 seconds. + +Memory usage : 195980 195980 + +-----------------------------------+ + Sweep number 2 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2467E-01 + 2 | 5.5912E-06 + 3 | 3.8874E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0820E-06 + 3 | 9.7957E-26 ++------------+------------+ + Sweep has been running for 0.072503148 seconds. + +Memory usage : 195980 195980 + +-----------------------------------+ + Sweep number 2 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0820E-06 + 3 | 1.1807E-25 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.07327576 seconds. + +Memory usage : 195980 195980 + +-----------------------------------+ + Sweep number 3 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0820E-06 + 3 | 3.9558E-25 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0820E-06 + 3 | 3.0526E-25 ++------------+------------+ + Sweep has been running for 0.001176735 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 3 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2467E-01 + 2 | 5.5912E-06 + 3 | 3.8874E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2467E-01 + 2 | 5.5912E-06 + 3 | 3.8874E-11 ++------------+------------+ + Sweep has been running for 0.005236069 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 3 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9182E-01 + 2 | 1.5431E-05 + 3 | 3.7774E-10 + 4 | 5.9437E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9018E-01 + 2 | 1.5134E-05 + 3 | 3.6216E-10 + 4 | 5.5282E-15 ++------------+------------+ + Sweep has been running for 0.020351677 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 3 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9193E-01 + 2 | 1.5344E-05 + 3 | 3.7096E-10 + 4 | 5.6733E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1020E-01 + 2 | 5.3820E-06 + 3 | 4.5800E-11 ++------------+------------+ + Sweep has been running for 0.033647704 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 3 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1020E-01 + 2 | 5.3820E-06 + 3 | 4.5800E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7231E-07 + 3 | 5.1270E-26 ++------------+------------+ + Sweep has been running for 0.036359408 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 3 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7231E-07 + 3 | 5.0089E-26 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.036781165 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 4 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7231E-07 + 3 | 8.1317E-26 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7231E-07 + 3 | 1.1974E-25 ++------------+------------+ + Sweep has been running for 0.037456171 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 4 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1020E-01 + 2 | 5.3820E-06 + 3 | 4.5800E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1020E-01 + 2 | 5.3820E-06 + 3 | 4.5800E-11 ++------------+------------+ + Sweep has been running for 0.042105078 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 4 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9193E-01 + 2 | 1.5344E-05 + 3 | 3.7096E-10 + 4 | 5.6733E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9023E-01 + 2 | 1.5132E-05 + 3 | 3.6186E-10 + 4 | 5.5272E-15 ++------------+------------+ + Sweep has been running for 0.057880373 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 4 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9189E-01 + 2 | 1.5432E-05 + 3 | 3.7747E-10 + 4 | 5.9424E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2307E-01 + 2 | 5.1039E-06 + 3 | 3.2646E-11 ++------------+------------+ + Sweep has been running for 0.069513901 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 4 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2307E-01 + 2 | 5.1039E-06 + 3 | 3.2646E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 4.4587E-25 ++------------+------------+ + Sweep has been running for 0.072753876 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 4 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 1.5438E-25 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.073515741 seconds. + +Memory usage : 197012 197012 + +-----------------------------------+ + Sweep number 5 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 2.0819E-25 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 1.7972E-25 ++------------+------------+ + Sweep has been running for 0.001158046 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 5 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2307E-01 + 2 | 5.1039E-06 + 3 | 3.2646E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2307E-01 + 2 | 5.1039E-06 + 3 | 3.2646E-11 ++------------+------------+ + Sweep has been running for 0.005391373 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 5 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9189E-01 + 2 | 1.5432E-05 + 3 | 3.7747E-10 + 4 | 5.9424E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9039E-01 + 2 | 1.5147E-05 + 3 | 3.6229E-10 + 4 | 5.5323E-15 ++------------+------------+ + Sweep has been running for 0.019646508 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 5 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9210E-01 + 2 | 1.5362E-05 + 3 | 3.7149E-10 + 4 | 5.6794E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1033E-01 + 2 | 5.6085E-06 + 3 | 5.1102E-11 ++------------+------------+ + Sweep has been running for 0.032961066 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 5 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1033E-01 + 2 | 5.6085E-06 + 3 | 5.1102E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7233E-07 + 3 | 7.8925E-26 ++------------+------------+ + Sweep has been running for 0.035516959 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 5 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7233E-07 + 3 | 7.9855E-26 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035917441 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 6 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7233E-07 + 3 | 7.1580E-26 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7233E-07 + 3 | 1.1762E-25 ++------------+------------+ + Sweep has been running for 0.036493551 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 6 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1033E-01 + 2 | 5.6085E-06 + 3 | 5.1102E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1033E-01 + 2 | 5.6085E-06 + 3 | 5.1102E-11 ++------------+------------+ + Sweep has been running for 0.040594606 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 6 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9210E-01 + 2 | 1.5362E-05 + 3 | 3.7149E-10 + 4 | 5.6794E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9038E-01 + 2 | 1.5145E-05 + 3 | 3.6214E-10 + 4 | 5.5318E-15 ++------------+------------+ + Sweep has been running for 0.056091994 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 6 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9189E-01 + 2 | 1.5433E-05 + 3 | 3.7736E-10 + 4 | 5.9421E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2234E-01 + 2 | 4.8818E-06 + 3 | 2.8967E-11 ++------------+------------+ + Sweep has been running for 0.067581281 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 6 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2234E-01 + 2 | 4.8818E-06 + 3 | 2.8967E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 1.1813E-24 ++------------+------------+ + Sweep has been running for 0.07075766 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 6 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 1.1778E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.071476557 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 7 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 1.0985E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6464E-01 + 2 | 1.0819E-06 + 3 | 9.9835E-25 ++------------+------------+ + Sweep has been running for 0.00104763 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 7 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2234E-01 + 2 | 4.8818E-06 + 3 | 2.8967E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2234E-01 + 2 | 4.8818E-06 + 3 | 2.8967E-11 ++------------+------------+ + Sweep has been running for 0.005090862 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 7 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9189E-01 + 2 | 1.5433E-05 + 3 | 3.7736E-10 + 4 | 5.9421E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9045E-01 + 2 | 1.5157E-05 + 3 | 3.6263E-10 + 4 | 5.5419E-15 ++------------+------------+ + Sweep has been running for 0.019513081 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 7 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9220E-01 + 2 | 1.5376E-05 + 3 | 3.7205E-10 + 4 | 5.6904E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.8088E-06 + 3 | 5.6355E-11 ++------------+------------+ + Sweep has been running for 0.032425756 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 7 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.8088E-06 + 3 | 5.6355E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7235E-07 + 3 | 1.1834E-25 ++------------+------------+ + Sweep has been running for 0.034925212 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 7 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7235E-07 + 3 | 1.2088E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035326038 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 8 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7235E-07 + 3 | 9.5233E-26 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7235E-07 + 3 | 1.0710E-25 ++------------+------------+ + Sweep has been running for 0.035908778 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 8 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.8088E-06 + 3 | 5.6355E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.8088E-06 + 3 | 5.6355E-11 ++------------+------------+ + Sweep has been running for 0.040050326 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 8 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9220E-01 + 2 | 1.5376E-05 + 3 | 3.7205E-10 + 4 | 5.6904E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9039E-01 + 2 | 1.5155E-05 + 3 | 3.6256E-10 + 4 | 5.5408E-15 ++------------+------------+ + Sweep has been running for 0.055626457 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 8 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9184E-01 + 2 | 1.5432E-05 + 3 | 3.7731E-10 + 4 | 5.9413E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2191E-01 + 2 | 4.7729E-06 + 3 | 2.7016E-11 ++------------+------------+ + Sweep has been running for 0.066994674 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 8 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2191E-01 + 2 | 4.7729E-06 + 3 | 2.7016E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 2.1729E-24 ++------------+------------+ + Sweep has been running for 0.070217804 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 8 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 1.8963E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070978343 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 9 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 2.0239E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 2.0639E-24 ++------------+------------+ + Sweep has been running for 0.001045834 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 9 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2191E-01 + 2 | 4.7729E-06 + 3 | 2.7016E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2191E-01 + 2 | 4.7729E-06 + 3 | 2.7016E-11 ++------------+------------+ + Sweep has been running for 0.004919261 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 9 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9184E-01 + 2 | 1.5432E-05 + 3 | 3.7731E-10 + 4 | 5.9413E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9039E-01 + 2 | 1.5164E-05 + 3 | 3.6304E-10 + 4 | 5.5521E-15 ++------------+------------+ + Sweep has been running for 0.018733921 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 9 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9222E-01 + 2 | 1.5387E-05 + 3 | 3.7256E-10 + 4 | 5.7024E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 5.9702E-06 + 3 | 6.0790E-11 ++------------+------------+ + Sweep has been running for 0.031646102 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 9 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 5.9702E-06 + 3 | 6.0790E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7238E-07 + 3 | 2.9998E-25 ++------------+------------+ + Sweep has been running for 0.034149108 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 9 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7238E-07 + 3 | 2.9462E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034555662 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 10 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7238E-07 + 3 | 3.1968E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7238E-07 + 3 | 3.4316E-25 ++------------+------------+ + Sweep has been running for 0.035134174 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 10 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 5.9702E-06 + 3 | 6.0790E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 5.9702E-06 + 3 | 6.0790E-11 ++------------+------------+ + Sweep has been running for 0.039170337 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 10 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9222E-01 + 2 | 1.5387E-05 + 3 | 3.7256E-10 + 4 | 5.7024E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5159E-05 + 3 | 3.6298E-10 + 4 | 5.5502E-15 ++------------+------------+ + Sweep has been running for 0.054387127 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 10 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9175E-01 + 2 | 1.5429E-05 + 3 | 3.7727E-10 + 4 | 5.9397E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2159E-01 + 2 | 4.7150E-06 + 3 | 2.5970E-11 ++------------+------------+ + Sweep has been running for 0.065773929 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 10 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2159E-01 + 2 | 4.7150E-06 + 3 | 2.5970E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 3.8868E-24 ++------------+------------+ + Sweep has been running for 0.068952983 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 10 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 3.7795E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.06971362 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 11 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 3.5458E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6465E-01 + 2 | 1.0819E-06 + 3 | 3.4528E-24 ++------------+------------+ + Sweep has been running for 0.001052186 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 11 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2159E-01 + 2 | 4.7150E-06 + 3 | 2.5970E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2159E-01 + 2 | 4.7150E-06 + 3 | 2.5970E-11 ++------------+------------+ + Sweep has been running for 0.004921229 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 11 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9175E-01 + 2 | 1.5429E-05 + 3 | 3.7727E-10 + 4 | 5.9397E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9024E-01 + 2 | 1.5166E-05 + 3 | 3.6344E-10 + 4 | 5.5618E-15 ++------------+------------+ + Sweep has been running for 0.01866589 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 11 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9219E-01 + 2 | 1.5394E-05 + 3 | 3.7302E-10 + 4 | 5.7146E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1130E-01 + 2 | 6.0935E-06 + 3 | 6.4208E-11 ++------------+------------+ + Sweep has been running for 0.031692986 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 11 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1130E-01 + 2 | 6.0935E-06 + 3 | 6.4208E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7242E-07 + 3 | 4.6143E-25 ++------------+------------+ + Sweep has been running for 0.034235662 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 11 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7242E-07 + 3 | 4.8869E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034678881 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 12 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7242E-07 + 3 | 4.9644E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7242E-07 + 3 | 4.5486E-25 ++------------+------------+ + Sweep has been running for 0.035255543 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 12 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1130E-01 + 2 | 6.0935E-06 + 3 | 6.4208E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1130E-01 + 2 | 6.0935E-06 + 3 | 6.4208E-11 ++------------+------------+ + Sweep has been running for 0.039446686 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 12 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9219E-01 + 2 | 1.5394E-05 + 3 | 3.7302E-10 + 4 | 5.7146E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9010E-01 + 2 | 1.5160E-05 + 3 | 3.6335E-10 + 4 | 5.5591E-15 ++------------+------------+ + Sweep has been running for 0.054754461 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 12 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9162E-01 + 2 | 1.5423E-05 + 3 | 3.7720E-10 + 4 | 5.9373E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2134E-01 + 2 | 4.6834E-06 + 3 | 2.5422E-11 ++------------+------------+ + Sweep has been running for 0.066093708 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 12 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2134E-01 + 2 | 4.6834E-06 + 3 | 2.5422E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0820E-06 + 3 | 3.9342E-24 ++------------+------------+ + Sweep has been running for 0.069249553 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 12 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0820E-06 + 3 | 4.2741E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.069973794 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 13 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0820E-06 + 3 | 4.2729E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0820E-06 + 3 | 4.3244E-24 ++------------+------------+ + Sweep has been running for 0.001111945 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 13 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2134E-01 + 2 | 4.6834E-06 + 3 | 2.5422E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2134E-01 + 2 | 4.6834E-06 + 3 | 2.5422E-11 ++------------+------------+ + Sweep has been running for 0.00508214 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 13 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9162E-01 + 2 | 1.5423E-05 + 3 | 3.7720E-10 + 4 | 5.9373E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9003E-01 + 2 | 1.5165E-05 + 3 | 3.6378E-10 + 4 | 5.5704E-15 ++------------+------------+ + Sweep has been running for 0.020415709 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 13 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9212E-01 + 2 | 1.5399E-05 + 3 | 3.7345E-10 + 4 | 5.7266E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1155E-01 + 2 | 6.1856E-06 + 3 | 6.6733E-11 ++------------+------------+ + Sweep has been running for 0.034453336 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 13 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1155E-01 + 2 | 6.1856E-06 + 3 | 6.6733E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7246E-07 + 3 | 5.5343E-25 ++------------+------------+ + Sweep has been running for 0.037066809 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 13 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7246E-07 + 3 | 5.5439E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.037482809 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 14 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7246E-07 + 3 | 5.3852E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7246E-07 + 3 | 5.8821E-25 ++------------+------------+ + Sweep has been running for 0.038103256 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 14 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1155E-01 + 2 | 6.1856E-06 + 3 | 6.6733E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1155E-01 + 2 | 6.1856E-06 + 3 | 6.6733E-11 ++------------+------------+ + Sweep has been running for 0.042276457 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 14 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9212E-01 + 2 | 1.5399E-05 + 3 | 3.7345E-10 + 4 | 5.7266E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8988E-01 + 2 | 1.5158E-05 + 3 | 3.6367E-10 + 4 | 5.5671E-15 ++------------+------------+ + Sweep has been running for 0.058064433 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 14 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9148E-01 + 2 | 1.5416E-05 + 3 | 3.7709E-10 + 4 | 5.9342E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2111E-01 + 2 | 4.6665E-06 + 3 | 2.5173E-11 ++------------+------------+ + Sweep has been running for 0.069495085 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 14 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2111E-01 + 2 | 4.6665E-06 + 3 | 2.5173E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0821E-06 + 3 | 5.2628E-24 ++------------+------------+ + Sweep has been running for 0.07268106 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 14 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0821E-06 + 3 | 4.9647E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.073405757 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 15 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0821E-06 + 3 | 4.6978E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6466E-01 + 2 | 1.0821E-06 + 3 | 4.6151E-24 ++------------+------------+ + Sweep has been running for 0.002103751 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 15 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2111E-01 + 2 | 4.6665E-06 + 3 | 2.5173E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2111E-01 + 2 | 4.6665E-06 + 3 | 2.5173E-11 ++------------+------------+ + Sweep has been running for 0.009964088 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 15 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9148E-01 + 2 | 1.5416E-05 + 3 | 3.7709E-10 + 4 | 5.9342E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8978E-01 + 2 | 1.5162E-05 + 3 | 3.6407E-10 + 4 | 5.5781E-15 ++------------+------------+ + Sweep has been running for 0.036795156 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 15 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9204E-01 + 2 | 1.5402E-05 + 3 | 3.7384E-10 + 4 | 5.7381E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1175E-01 + 2 | 6.2539E-06 + 3 | 6.8573E-11 ++------------+------------+ + Sweep has been running for 0.062038295 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 15 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1175E-01 + 2 | 6.2539E-06 + 3 | 6.8573E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7251E-07 + 3 | 6.0488E-25 ++------------+------------+ + Sweep has been running for 0.066833617 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 15 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7251E-07 + 3 | 6.2637E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.06764973 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 16 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7251E-07 + 3 | 6.1598E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7251E-07 + 3 | 5.5423E-25 ++------------+------------+ + Sweep has been running for 0.068777503 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 16 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1175E-01 + 2 | 6.2539E-06 + 3 | 6.8573E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1175E-01 + 2 | 6.2539E-06 + 3 | 6.8573E-11 ++------------+------------+ + Sweep has been running for 0.076952923 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 16 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9204E-01 + 2 | 1.5402E-05 + 3 | 3.7384E-10 + 4 | 5.7381E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8963E-01 + 2 | 1.5154E-05 + 3 | 3.6393E-10 + 4 | 5.5744E-15 ++------------+------------+ + Sweep has been running for 0.099252573 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 16 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9133E-01 + 2 | 1.5408E-05 + 3 | 3.7695E-10 + 4 | 5.9308E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2090E-01 + 2 | 4.6582E-06 + 3 | 2.5113E-11 ++------------+------------+ + Sweep has been running for 0.11077239 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 16 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2090E-01 + 2 | 4.6582E-06 + 3 | 2.5113E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0822E-06 + 3 | 6.4941E-24 ++------------+------------+ + Sweep has been running for 0.113909838 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 16 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0822E-06 + 3 | 6.1748E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.114643964 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 17 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0822E-06 + 3 | 6.1308E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0822E-06 + 3 | 6.3712E-24 ++------------+------------+ + Sweep has been running for 0.001037685 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 17 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2090E-01 + 2 | 4.6582E-06 + 3 | 2.5113E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2090E-01 + 2 | 4.6582E-06 + 3 | 2.5113E-11 ++------------+------------+ + Sweep has been running for 0.004916271 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 17 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9133E-01 + 2 | 1.5408E-05 + 3 | 3.7695E-10 + 4 | 5.9308E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8953E-01 + 2 | 1.5156E-05 + 3 | 3.6429E-10 + 4 | 5.5848E-15 ++------------+------------+ + Sweep has been running for 0.018713219 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 17 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9195E-01 + 2 | 1.5404E-05 + 3 | 3.7420E-10 + 4 | 5.7492E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1189E-01 + 2 | 6.3045E-06 + 3 | 6.9915E-11 ++------------+------------+ + Sweep has been running for 0.031607433 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 17 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1189E-01 + 2 | 6.3045E-06 + 3 | 6.9915E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7256E-07 + 3 | 8.1274E-25 ++------------+------------+ + Sweep has been running for 0.034099585 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 17 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7256E-07 + 3 | 7.8457E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034497832 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 18 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7256E-07 + 3 | 7.9711E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7256E-07 + 3 | 8.2061E-25 ++------------+------------+ + Sweep has been running for 0.035113584 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 18 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1189E-01 + 2 | 6.3045E-06 + 3 | 6.9915E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1189E-01 + 2 | 6.3045E-06 + 3 | 6.9915E-11 ++------------+------------+ + Sweep has been running for 0.039179903 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 18 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9195E-01 + 2 | 1.5404E-05 + 3 | 3.7420E-10 + 4 | 5.7492E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8938E-01 + 2 | 1.5148E-05 + 3 | 3.6413E-10 + 4 | 5.5808E-15 ++------------+------------+ + Sweep has been running for 0.055087169 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 18 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9119E-01 + 2 | 1.5400E-05 + 3 | 3.7678E-10 + 4 | 5.9271E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2070E-01 + 2 | 4.6551E-06 + 3 | 2.5181E-11 ++------------+------------+ + Sweep has been running for 0.066477594 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 18 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2070E-01 + 2 | 4.6551E-06 + 3 | 2.5181E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0823E-06 + 3 | 6.3634E-24 ++------------+------------+ + Sweep has been running for 0.069689798 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 18 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0823E-06 + 3 | 6.4220E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070447476 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 19 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0823E-06 + 3 | 6.6649E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6467E-01 + 2 | 1.0823E-06 + 3 | 6.6198E-24 ++------------+------------+ + Sweep has been running for 0.00106612 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 19 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2070E-01 + 2 | 4.6551E-06 + 3 | 2.5181E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2070E-01 + 2 | 4.6551E-06 + 3 | 2.5181E-11 ++------------+------------+ + Sweep has been running for 0.005093378 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 19 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9119E-01 + 2 | 1.5400E-05 + 3 | 3.7678E-10 + 4 | 5.9271E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8928E-01 + 2 | 1.5150E-05 + 3 | 3.6445E-10 + 4 | 5.5908E-15 ++------------+------------+ + Sweep has been running for 0.019125 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 19 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9186E-01 + 2 | 1.5405E-05 + 3 | 3.7452E-10 + 4 | 5.7598E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1199E-01 + 2 | 6.3419E-06 + 3 | 7.0904E-11 ++------------+------------+ + Sweep has been running for 0.032048355 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 19 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1199E-01 + 2 | 6.3419E-06 + 3 | 7.0904E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7263E-07 + 3 | 6.9041E-25 ++------------+------------+ + Sweep has been running for 0.03462512 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 19 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7263E-07 + 3 | 6.7481E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035029976 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 20 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7263E-07 + 3 | 6.5895E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0820E-01 + 2 | 3.7263E-07 + 3 | 6.3324E-25 ++------------+------------+ + Sweep has been running for 0.035606032 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 20 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1199E-01 + 2 | 6.3419E-06 + 3 | 7.0904E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1199E-01 + 2 | 6.3419E-06 + 3 | 7.0904E-11 ++------------+------------+ + Sweep has been running for 0.0396258 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 20 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9186E-01 + 2 | 1.5405E-05 + 3 | 3.7452E-10 + 4 | 5.7598E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8914E-01 + 2 | 1.5142E-05 + 3 | 3.6428E-10 + 4 | 5.5867E-15 ++------------+------------+ + Sweep has been running for 0.054933918 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 20 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9105E-01 + 2 | 1.5391E-05 + 3 | 3.7661E-10 + 4 | 5.9232E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2051E-01 + 2 | 4.6552E-06 + 3 | 2.5340E-11 ++------------+------------+ + Sweep has been running for 0.066356484 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 20 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2051E-01 + 2 | 4.6552E-06 + 3 | 2.5340E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0824E-06 + 3 | 4.9825E-24 ++------------+------------+ + Sweep has been running for 0.069580299 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 20 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0824E-06 + 3 | 5.2038E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070343795 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 21 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0824E-06 + 3 | 5.5601E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0824E-06 + 3 | 5.5543E-24 ++------------+------------+ + Sweep has been running for 0.001075565 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 21 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2051E-01 + 2 | 4.6552E-06 + 3 | 2.5340E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2051E-01 + 2 | 4.6552E-06 + 3 | 2.5340E-11 ++------------+------------+ + Sweep has been running for 0.005054209 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 21 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9105E-01 + 2 | 1.5391E-05 + 3 | 3.7661E-10 + 4 | 5.9232E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8904E-01 + 2 | 1.5143E-05 + 3 | 3.6457E-10 + 4 | 5.5961E-15 ++------------+------------+ + Sweep has been running for 0.019456617 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 21 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9177E-01 + 2 | 1.5406E-05 + 3 | 3.7480E-10 + 4 | 5.7698E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.3694E-06 + 3 | 7.1642E-11 ++------------+------------+ + Sweep has been running for 0.033302075 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 21 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.3694E-06 + 3 | 7.1642E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7270E-07 + 3 | 7.2594E-25 ++------------+------------+ + Sweep has been running for 0.035992702 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 21 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7270E-07 + 3 | 7.0461E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.036395436 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 22 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7270E-07 + 3 | 6.8238E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7270E-07 + 3 | 6.7051E-25 ++------------+------------+ + Sweep has been running for 0.037038176 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 22 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.3694E-06 + 3 | 7.1642E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.3694E-06 + 3 | 7.1642E-11 ++------------+------------+ + Sweep has been running for 0.041298898 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 22 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9177E-01 + 2 | 1.5406E-05 + 3 | 3.7480E-10 + 4 | 5.7698E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8891E-01 + 2 | 1.5136E-05 + 3 | 3.6438E-10 + 4 | 5.5920E-15 ++------------+------------+ + Sweep has been running for 0.057016336 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 22 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9093E-01 + 2 | 1.5383E-05 + 3 | 3.7642E-10 + 4 | 5.9193E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2031E-01 + 2 | 4.6574E-06 + 3 | 2.5565E-11 ++------------+------------+ + Sweep has been running for 0.069225195 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 22 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2031E-01 + 2 | 4.6574E-06 + 3 | 2.5565E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0825E-06 + 3 | 5.9848E-24 ++------------+------------+ + Sweep has been running for 0.072440794 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 22 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0825E-06 + 3 | 5.9578E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.073170425 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 23 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0825E-06 + 3 | 5.8042E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6468E-01 + 2 | 1.0825E-06 + 3 | 5.8546E-24 ++------------+------------+ + Sweep has been running for 0.001239968 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 23 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2031E-01 + 2 | 4.6574E-06 + 3 | 2.5565E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2031E-01 + 2 | 4.6574E-06 + 3 | 2.5565E-11 ++------------+------------+ + Sweep has been running for 0.005359971 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 23 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9093E-01 + 2 | 1.5383E-05 + 3 | 3.7642E-10 + 4 | 5.9193E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8882E-01 + 2 | 1.5136E-05 + 3 | 3.6464E-10 + 4 | 5.6008E-15 ++------------+------------+ + Sweep has been running for 0.019744665 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 23 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9168E-01 + 2 | 1.5405E-05 + 3 | 3.7506E-10 + 4 | 5.7792E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1206E-01 + 2 | 6.3893E-06 + 3 | 7.2203E-11 ++------------+------------+ + Sweep has been running for 0.03282116 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 23 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1206E-01 + 2 | 6.3893E-06 + 3 | 7.2203E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7279E-07 + 3 | 7.4941E-25 ++------------+------------+ + Sweep has been running for 0.035318817 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 23 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7279E-07 + 3 | 7.3047E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035717212 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 24 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7279E-07 + 3 | 7.3329E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7279E-07 + 3 | 7.1965E-25 ++------------+------------+ + Sweep has been running for 0.036333702 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 24 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1206E-01 + 2 | 6.3893E-06 + 3 | 7.2203E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1206E-01 + 2 | 6.3893E-06 + 3 | 7.2203E-11 ++------------+------------+ + Sweep has been running for 0.040330077 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 24 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9168E-01 + 2 | 1.5405E-05 + 3 | 3.7506E-10 + 4 | 5.7792E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8871E-01 + 2 | 1.5129E-05 + 3 | 3.6446E-10 + 4 | 5.5968E-15 ++------------+------------+ + Sweep has been running for 0.056137644 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 24 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9082E-01 + 2 | 1.5376E-05 + 3 | 3.7623E-10 + 4 | 5.9155E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2011E-01 + 2 | 4.6607E-06 + 3 | 2.5840E-11 ++------------+------------+ + Sweep has been running for 0.068163878 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 24 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2011E-01 + 2 | 4.6607E-06 + 3 | 2.5840E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6469E-01 + 2 | 1.0827E-06 + 3 | 6.4123E-24 ++------------+------------+ + Sweep has been running for 0.071354739 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 24 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6469E-01 + 2 | 1.0827E-06 + 3 | 6.6162E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.072074106 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 25 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6469E-01 + 2 | 1.0827E-06 + 3 | 6.7753E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6469E-01 + 2 | 1.0827E-06 + 3 | 6.6880E-24 ++------------+------------+ + Sweep has been running for 0.001028701 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 25 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2011E-01 + 2 | 4.6607E-06 + 3 | 2.5840E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2011E-01 + 2 | 4.6607E-06 + 3 | 2.5840E-11 ++------------+------------+ + Sweep has been running for 0.004946408 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 25 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9082E-01 + 2 | 1.5376E-05 + 3 | 3.7623E-10 + 4 | 5.9155E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8862E-01 + 2 | 1.5129E-05 + 3 | 3.6469E-10 + 4 | 5.6051E-15 ++------------+------------+ + Sweep has been running for 0.019186276 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 25 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9160E-01 + 2 | 1.5405E-05 + 3 | 3.7529E-10 + 4 | 5.7881E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.4031E-06 + 3 | 7.2635E-11 ++------------+------------+ + Sweep has been running for 0.032634401 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 25 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.4031E-06 + 3 | 7.2635E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7289E-07 + 3 | 7.7721E-25 ++------------+------------+ + Sweep has been running for 0.035142638 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 25 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7289E-07 + 3 | 7.8071E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035542951 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 26 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7289E-07 + 3 | 7.8916E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0821E-01 + 2 | 3.7289E-07 + 3 | 8.0367E-25 ++------------+------------+ + Sweep has been running for 0.036159301 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 26 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.4031E-06 + 3 | 7.2635E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1205E-01 + 2 | 6.4031E-06 + 3 | 7.2635E-11 ++------------+------------+ + Sweep has been running for 0.040219511 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 26 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9160E-01 + 2 | 1.5405E-05 + 3 | 3.7529E-10 + 4 | 5.7881E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8853E-01 + 2 | 1.5123E-05 + 3 | 3.6450E-10 + 4 | 5.6011E-15 ++------------+------------+ + Sweep has been running for 0.055501012 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 26 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9073E-01 + 2 | 1.5370E-05 + 3 | 3.7604E-10 + 4 | 5.9116E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1990E-01 + 2 | 4.6647E-06 + 3 | 2.6151E-11 ++------------+------------+ + Sweep has been running for 0.066971378 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 26 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1990E-01 + 2 | 4.6647E-06 + 3 | 2.6151E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6470E-01 + 2 | 1.0829E-06 + 3 | 6.2799E-24 ++------------+------------+ + Sweep has been running for 0.070138708 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 26 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6470E-01 + 2 | 1.0829E-06 + 3 | 6.3583E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070854091 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 27 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6470E-01 + 2 | 1.0829E-06 + 3 | 6.0151E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6470E-01 + 2 | 1.0829E-06 + 3 | 6.3033E-24 ++------------+------------+ + Sweep has been running for 0.00109349 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 27 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1990E-01 + 2 | 4.6647E-06 + 3 | 2.6151E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1990E-01 + 2 | 4.6647E-06 + 3 | 2.6151E-11 ++------------+------------+ + Sweep has been running for 0.005069745 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 27 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9073E-01 + 2 | 1.5370E-05 + 3 | 3.7604E-10 + 4 | 5.9116E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8844E-01 + 2 | 1.5122E-05 + 3 | 3.6470E-10 + 4 | 5.6089E-15 ++------------+------------+ + Sweep has been running for 0.019412437 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 27 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9152E-01 + 2 | 1.5403E-05 + 3 | 3.7549E-10 + 4 | 5.7964E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1200E-01 + 2 | 6.4119E-06 + 3 | 7.2973E-11 ++------------+------------+ + Sweep has been running for 0.032204581 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 27 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1200E-01 + 2 | 6.4119E-06 + 3 | 7.2973E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7301E-07 + 3 | 6.9907E-25 ++------------+------------+ + Sweep has been running for 0.034892079 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 27 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7301E-07 + 3 | 6.8317E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035293138 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 28 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7301E-07 + 3 | 6.4968E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7301E-07 + 3 | 6.1467E-25 ++------------+------------+ + Sweep has been running for 0.035919054 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 28 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1200E-01 + 2 | 6.4119E-06 + 3 | 7.2973E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1200E-01 + 2 | 6.4119E-06 + 3 | 7.2973E-11 ++------------+------------+ + Sweep has been running for 0.040039512 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 28 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9152E-01 + 2 | 1.5403E-05 + 3 | 3.7549E-10 + 4 | 5.7964E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8836E-01 + 2 | 1.5117E-05 + 3 | 3.6452E-10 + 4 | 5.6050E-15 ++------------+------------+ + Sweep has been running for 0.055209864 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 28 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9065E-01 + 2 | 1.5364E-05 + 3 | 3.7586E-10 + 4 | 5.9078E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1969E-01 + 2 | 4.6690E-06 + 3 | 2.6489E-11 ++------------+------------+ + Sweep has been running for 0.066865348 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 28 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1969E-01 + 2 | 4.6690E-06 + 3 | 2.6489E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6471E-01 + 2 | 1.0831E-06 + 3 | 5.8882E-24 ++------------+------------+ + Sweep has been running for 0.070040979 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 28 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6471E-01 + 2 | 1.0831E-06 + 3 | 5.9264E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070784975 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 29 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6471E-01 + 2 | 1.0831E-06 + 3 | 6.3805E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6471E-01 + 2 | 1.0831E-06 + 3 | 6.6956E-24 ++------------+------------+ + Sweep has been running for 0.001054337 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 29 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1969E-01 + 2 | 4.6690E-06 + 3 | 2.6489E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1969E-01 + 2 | 4.6690E-06 + 3 | 2.6489E-11 ++------------+------------+ + Sweep has been running for 0.005011704 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 29 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9065E-01 + 2 | 1.5364E-05 + 3 | 3.7586E-10 + 4 | 5.9078E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8828E-01 + 2 | 1.5115E-05 + 3 | 3.6468E-10 + 4 | 5.6122E-15 ++------------+------------+ + Sweep has been running for 0.018982113 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 29 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9145E-01 + 2 | 1.5402E-05 + 3 | 3.7565E-10 + 4 | 5.8041E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1192E-01 + 2 | 6.4168E-06 + 3 | 7.3243E-11 ++------------+------------+ + Sweep has been running for 0.031905636 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 29 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1192E-01 + 2 | 6.4168E-06 + 3 | 7.3243E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7313E-07 + 3 | 8.5520E-25 ++------------+------------+ + Sweep has been running for 0.034418121 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 29 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7313E-07 + 3 | 8.4960E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034819168 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 30 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7313E-07 + 3 | 8.2773E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7313E-07 + 3 | 8.2318E-25 ++------------+------------+ + Sweep has been running for 0.035436522 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 30 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1192E-01 + 2 | 6.4168E-06 + 3 | 7.3243E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1192E-01 + 2 | 6.4168E-06 + 3 | 7.3243E-11 ++------------+------------+ + Sweep has been running for 0.039513857 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 30 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9145E-01 + 2 | 1.5402E-05 + 3 | 3.7565E-10 + 4 | 5.8041E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8821E-01 + 2 | 1.5111E-05 + 3 | 3.6451E-10 + 4 | 5.6084E-15 ++------------+------------+ + Sweep has been running for 0.05482722 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 30 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9058E-01 + 2 | 1.5359E-05 + 3 | 3.7568E-10 + 4 | 5.9041E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1948E-01 + 2 | 4.6734E-06 + 3 | 2.6847E-11 ++------------+------------+ + Sweep has been running for 0.066185904 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 30 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1948E-01 + 2 | 4.6734E-06 + 3 | 2.6847E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0833E-06 + 3 | 8.5234E-24 ++------------+------------+ + Sweep has been running for 0.069352409 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 30 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0833E-06 + 3 | 8.6829E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070072075 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 31 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0833E-06 + 3 | 8.9181E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0833E-06 + 3 | 9.1879E-24 ++------------+------------+ + Sweep has been running for 0.002462073 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 31 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1948E-01 + 2 | 4.6734E-06 + 3 | 2.6847E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1948E-01 + 2 | 4.6734E-06 + 3 | 2.6847E-11 ++------------+------------+ + Sweep has been running for 0.007236026 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 31 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9058E-01 + 2 | 1.5359E-05 + 3 | 3.7568E-10 + 4 | 5.9041E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8813E-01 + 2 | 1.5108E-05 + 3 | 3.6465E-10 + 4 | 5.6150E-15 ++------------+------------+ + Sweep has been running for 0.021474337 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 31 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9138E-01 + 2 | 1.5399E-05 + 3 | 3.7579E-10 + 4 | 5.8111E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1181E-01 + 2 | 6.4181E-06 + 3 | 7.3461E-11 ++------------+------------+ + Sweep has been running for 0.034332153 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 31 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1181E-01 + 2 | 6.4181E-06 + 3 | 7.3461E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7327E-07 + 3 | 1.0961E-24 ++------------+------------+ + Sweep has been running for 0.036960044 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 31 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7327E-07 + 3 | 1.0771E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.037363749 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 32 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7327E-07 + 3 | 1.1139E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0822E-01 + 2 | 3.7327E-07 + 3 | 1.1176E-24 ++------------+------------+ + Sweep has been running for 0.037946677 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 32 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1181E-01 + 2 | 6.4181E-06 + 3 | 7.3461E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1181E-01 + 2 | 6.4181E-06 + 3 | 7.3461E-11 ++------------+------------+ + Sweep has been running for 0.042013248 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 32 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9138E-01 + 2 | 1.5399E-05 + 3 | 3.7579E-10 + 4 | 5.8111E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8807E-01 + 2 | 1.5104E-05 + 3 | 3.6448E-10 + 4 | 5.6113E-15 ++------------+------------+ + Sweep has been running for 0.057951966 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 32 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9052E-01 + 2 | 1.5354E-05 + 3 | 3.7551E-10 + 4 | 5.9005E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1926E-01 + 2 | 4.6777E-06 + 3 | 2.7217E-11 ++------------+------------+ + Sweep has been running for 0.069235924 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 32 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1926E-01 + 2 | 4.6777E-06 + 3 | 2.7217E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0835E-06 + 3 | 8.6901E-24 ++------------+------------+ + Sweep has been running for 0.072366144 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 32 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0835E-06 + 3 | 8.4797E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.073099121 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 33 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0835E-06 + 3 | 8.8162E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6472E-01 + 2 | 1.0835E-06 + 3 | 8.6604E-24 ++------------+------------+ + Sweep has been running for 0.001071891 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 33 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1926E-01 + 2 | 4.6777E-06 + 3 | 2.7217E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1926E-01 + 2 | 4.6777E-06 + 3 | 2.7217E-11 ++------------+------------+ + Sweep has been running for 0.005072735 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 33 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9052E-01 + 2 | 1.5354E-05 + 3 | 3.7551E-10 + 4 | 5.9005E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8800E-01 + 2 | 1.5102E-05 + 3 | 3.6459E-10 + 4 | 5.6172E-15 ++------------+------------+ + Sweep has been running for 0.019768775 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 33 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9130E-01 + 2 | 1.5396E-05 + 3 | 3.7589E-10 + 4 | 5.8174E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1167E-01 + 2 | 6.4165E-06 + 3 | 7.3639E-11 ++------------+------------+ + Sweep has been running for 0.032975901 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 33 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1167E-01 + 2 | 6.4165E-06 + 3 | 7.3639E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0823E-01 + 2 | 3.7342E-07 + 3 | 9.3258E-25 ++------------+------------+ + Sweep has been running for 0.035623762 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 33 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0823E-01 + 2 | 3.7342E-07 + 3 | 9.2282E-25 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.036025179 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 34 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0823E-01 + 2 | 3.7342E-07 + 3 | 9.1245E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0823E-01 + 2 | 3.7342E-07 + 3 | 9.2852E-25 ++------------+------------+ + Sweep has been running for 0.036645829 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 34 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1167E-01 + 2 | 6.4165E-06 + 3 | 7.3639E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1167E-01 + 2 | 6.4165E-06 + 3 | 7.3639E-11 ++------------+------------+ + Sweep has been running for 0.040788475 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 34 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9130E-01 + 2 | 1.5396E-05 + 3 | 3.7589E-10 + 4 | 5.8174E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8795E-01 + 2 | 1.5098E-05 + 3 | 3.6443E-10 + 4 | 5.6137E-15 ++------------+------------+ + Sweep has been running for 0.05605071 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 34 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9047E-01 + 2 | 1.5350E-05 + 3 | 3.7536E-10 + 4 | 5.8970E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1903E-01 + 2 | 4.6819E-06 + 3 | 2.7594E-11 ++------------+------------+ + Sweep has been running for 0.06731279 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 34 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1903E-01 + 2 | 4.6819E-06 + 3 | 2.7594E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6474E-01 + 2 | 1.0837E-06 + 3 | 7.4835E-24 ++------------+------------+ + Sweep has been running for 0.070547956 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 34 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6474E-01 + 2 | 1.0837E-06 + 3 | 7.6951E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.071288358 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 35 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6474E-01 + 2 | 1.0837E-06 + 3 | 7.7957E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6474E-01 + 2 | 1.0837E-06 + 3 | 7.8345E-24 ++------------+------------+ + Sweep has been running for 0.001081678 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 35 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1903E-01 + 2 | 4.6819E-06 + 3 | 2.7594E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1903E-01 + 2 | 4.6819E-06 + 3 | 2.7594E-11 ++------------+------------+ + Sweep has been running for 0.005012325 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 35 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9047E-01 + 2 | 1.5350E-05 + 3 | 3.7536E-10 + 4 | 5.8970E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8787E-01 + 2 | 1.5095E-05 + 3 | 3.6451E-10 + 4 | 5.6189E-15 ++------------+------------+ + Sweep has been running for 0.018985118 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 35 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9123E-01 + 2 | 1.5393E-05 + 3 | 3.7597E-10 + 4 | 5.8229E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1150E-01 + 2 | 6.4122E-06 + 3 | 7.3786E-11 ++------------+------------+ + Sweep has been running for 0.031927428 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 35 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1150E-01 + 2 | 6.4122E-06 + 3 | 7.3786E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7359E-07 + 3 | 9.7987E-25 ++------------+------------+ + Sweep has been running for 0.034439175 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 35 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7359E-07 + 3 | 1.0002E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034840756 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 36 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7359E-07 + 3 | 9.8497E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7359E-07 + 3 | 9.6324E-25 ++------------+------------+ + Sweep has been running for 0.035459037 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 36 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1150E-01 + 2 | 6.4122E-06 + 3 | 7.3786E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1150E-01 + 2 | 6.4122E-06 + 3 | 7.3786E-11 ++------------+------------+ + Sweep has been running for 0.039519764 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 36 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9123E-01 + 2 | 1.5393E-05 + 3 | 3.7597E-10 + 4 | 5.8229E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8783E-01 + 2 | 1.5092E-05 + 3 | 3.6437E-10 + 4 | 5.6156E-15 ++------------+------------+ + Sweep has been running for 0.0553363 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 36 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9043E-01 + 2 | 1.5347E-05 + 3 | 3.7521E-10 + 4 | 5.8937E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1880E-01 + 2 | 4.6858E-06 + 3 | 2.7975E-11 ++------------+------------+ + Sweep has been running for 0.066840504 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 36 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1880E-01 + 2 | 4.6858E-06 + 3 | 2.7975E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6475E-01 + 2 | 1.0840E-06 + 3 | 7.0193E-24 ++------------+------------+ + Sweep has been running for 0.069992887 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 36 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6475E-01 + 2 | 1.0840E-06 + 3 | 7.5396E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070759756 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 37 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6475E-01 + 2 | 1.0840E-06 + 3 | 7.4090E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6475E-01 + 2 | 1.0840E-06 + 3 | 7.8198E-24 ++------------+------------+ + Sweep has been running for 0.001098337 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 37 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1880E-01 + 2 | 4.6858E-06 + 3 | 2.7975E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1880E-01 + 2 | 4.6858E-06 + 3 | 2.7975E-11 ++------------+------------+ + Sweep has been running for 0.005267106 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 37 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9043E-01 + 2 | 1.5347E-05 + 3 | 3.7521E-10 + 4 | 5.8937E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8775E-01 + 2 | 1.5088E-05 + 3 | 3.6442E-10 + 4 | 5.6201E-15 ++------------+------------+ + Sweep has been running for 0.021413464 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 37 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9116E-01 + 2 | 1.5389E-05 + 3 | 3.7602E-10 + 4 | 5.8276E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.4055E-06 + 3 | 7.3909E-11 ++------------+------------+ + Sweep has been running for 0.035036044 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 37 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.4055E-06 + 3 | 7.3909E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7376E-07 + 3 | 1.0030E-24 ++------------+------------+ + Sweep has been running for 0.037621231 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 37 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7376E-07 + 3 | 1.0047E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.038110308 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 38 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7376E-07 + 3 | 9.9851E-25 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0824E-01 + 2 | 3.7376E-07 + 3 | 1.0042E-24 ++------------+------------+ + Sweep has been running for 0.038705598 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 38 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.4055E-06 + 3 | 7.3909E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.4055E-06 + 3 | 7.3909E-11 ++------------+------------+ + Sweep has been running for 0.042820317 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 38 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9116E-01 + 2 | 1.5389E-05 + 3 | 3.7602E-10 + 4 | 5.8276E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8772E-01 + 2 | 1.5085E-05 + 3 | 3.6430E-10 + 4 | 5.6171E-15 ++------------+------------+ + Sweep has been running for 0.058512177 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 38 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9039E-01 + 2 | 1.5344E-05 + 3 | 3.7509E-10 + 4 | 5.8907E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1856E-01 + 2 | 4.6895E-06 + 3 | 2.8357E-11 ++------------+------------+ + Sweep has been running for 0.069889464 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 38 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1856E-01 + 2 | 4.6895E-06 + 3 | 2.8357E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6476E-01 + 2 | 1.0842E-06 + 3 | 9.5725E-24 ++------------+------------+ + Sweep has been running for 0.073039431 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 38 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6476E-01 + 2 | 1.0842E-06 + 3 | 9.5298E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.073797693 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 39 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6476E-01 + 2 | 1.0842E-06 + 3 | 9.5689E-24 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6476E-01 + 2 | 1.0842E-06 + 3 | 9.8116E-24 ++------------+------------+ + Sweep has been running for 0.001076264 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 39 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1856E-01 + 2 | 4.6895E-06 + 3 | 2.8357E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1856E-01 + 2 | 4.6895E-06 + 3 | 2.8357E-11 ++------------+------------+ + Sweep has been running for 0.0050348 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 39 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9039E-01 + 2 | 1.5344E-05 + 3 | 3.7509E-10 + 4 | 5.8907E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8764E-01 + 2 | 1.5081E-05 + 3 | 3.6432E-10 + 4 | 5.6209E-15 ++------------+------------+ + Sweep has been running for 0.01883891 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 39 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9108E-01 + 2 | 1.5384E-05 + 3 | 3.7604E-10 + 4 | 5.8315E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1108E-01 + 2 | 6.3967E-06 + 3 | 7.4013E-11 ++------------+------------+ + Sweep has been running for 0.032175989 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 39 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1108E-01 + 2 | 6.3967E-06 + 3 | 7.4013E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0825E-01 + 2 | 3.7395E-07 + 3 | 1.2046E-24 ++------------+------------+ + Sweep has been running for 0.034771375 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 39 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0825E-01 + 2 | 3.7395E-07 + 3 | 1.1577E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035172097 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 40 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0825E-01 + 2 | 3.7395E-07 + 3 | 1.1658E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0825E-01 + 2 | 3.7395E-07 + 3 | 1.1398E-24 ++------------+------------+ + Sweep has been running for 0.035844843 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 40 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1108E-01 + 2 | 6.3967E-06 + 3 | 7.4013E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1108E-01 + 2 | 6.3967E-06 + 3 | 7.4013E-11 ++------------+------------+ + Sweep has been running for 0.040025582 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 40 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9108E-01 + 2 | 1.5384E-05 + 3 | 3.7604E-10 + 4 | 5.8315E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8761E-01 + 2 | 1.5079E-05 + 3 | 3.6422E-10 + 4 | 5.6183E-15 ++------------+------------+ + Sweep has been running for 0.056004922 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 40 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9036E-01 + 2 | 1.5342E-05 + 3 | 3.7499E-10 + 4 | 5.8881E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1832E-01 + 2 | 4.6930E-06 + 3 | 2.8735E-11 ++------------+------------+ + Sweep has been running for 0.067454536 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 40 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1832E-01 + 2 | 4.6930E-06 + 3 | 2.8735E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6477E-01 + 2 | 1.0845E-06 + 3 | 1.0286E-23 ++------------+------------+ + Sweep has been running for 0.070753973 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 40 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6477E-01 + 2 | 1.0845E-06 + 3 | 1.0592E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.071542837 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 41 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6477E-01 + 2 | 1.0845E-06 + 3 | 1.1126E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6477E-01 + 2 | 1.0845E-06 + 3 | 1.0877E-23 ++------------+------------+ + Sweep has been running for 0.001075241 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 41 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1832E-01 + 2 | 4.6930E-06 + 3 | 2.8735E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1832E-01 + 2 | 4.6930E-06 + 3 | 2.8735E-11 ++------------+------------+ + Sweep has been running for 0.005048777 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 41 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9036E-01 + 2 | 1.5342E-05 + 3 | 3.7499E-10 + 4 | 5.8881E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8753E-01 + 2 | 1.5074E-05 + 3 | 3.6423E-10 + 4 | 5.6213E-15 ++------------+------------+ + Sweep has been running for 0.020231341 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 41 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9101E-01 + 2 | 1.5379E-05 + 3 | 3.7604E-10 + 4 | 5.8346E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1083E-01 + 2 | 6.3859E-06 + 3 | 7.4100E-11 ++------------+------------+ + Sweep has been running for 0.033907581 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 41 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1083E-01 + 2 | 6.3859E-06 + 3 | 7.4100E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0826E-01 + 2 | 3.7415E-07 + 3 | 1.2000E-24 ++------------+------------+ + Sweep has been running for 0.036395832 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 41 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0826E-01 + 2 | 3.7415E-07 + 3 | 1.2016E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.036805273 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 42 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0826E-01 + 2 | 3.7415E-07 + 3 | 1.2526E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0826E-01 + 2 | 3.7415E-07 + 3 | 1.2687E-24 ++------------+------------+ + Sweep has been running for 0.037384832 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 42 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1083E-01 + 2 | 6.3859E-06 + 3 | 7.4100E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1083E-01 + 2 | 6.3859E-06 + 3 | 7.4100E-11 ++------------+------------+ + Sweep has been running for 0.041550349 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 42 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9101E-01 + 2 | 1.5379E-05 + 3 | 3.7604E-10 + 4 | 5.8346E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8750E-01 + 2 | 1.5073E-05 + 3 | 3.6416E-10 + 4 | 5.6192E-15 ++------------+------------+ + Sweep has been running for 0.056809724 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 42 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9034E-01 + 2 | 1.5341E-05 + 3 | 3.7492E-10 + 4 | 5.8861E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1807E-01 + 2 | 4.6962E-06 + 3 | 2.9109E-11 ++------------+------------+ + Sweep has been running for 0.068302332 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 42 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1807E-01 + 2 | 4.6962E-06 + 3 | 2.9109E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6478E-01 + 2 | 1.0848E-06 + 3 | 1.1215E-23 ++------------+------------+ + Sweep has been running for 0.07147227 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 42 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6478E-01 + 2 | 1.0848E-06 + 3 | 1.1483E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.072232825 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 43 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6478E-01 + 2 | 1.0848E-06 + 3 | 1.1570E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6478E-01 + 2 | 1.0848E-06 + 3 | 1.1758E-23 ++------------+------------+ + Sweep has been running for 0.001090492 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 43 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1807E-01 + 2 | 4.6962E-06 + 3 | 2.9109E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1807E-01 + 2 | 4.6962E-06 + 3 | 2.9109E-11 ++------------+------------+ + Sweep has been running for 0.005015427 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 43 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9034E-01 + 2 | 1.5341E-05 + 3 | 3.7492E-10 + 4 | 5.8861E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8742E-01 + 2 | 1.5068E-05 + 3 | 3.6415E-10 + 4 | 5.6216E-15 ++------------+------------+ + Sweep has been running for 0.018834303 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 43 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9093E-01 + 2 | 1.5373E-05 + 3 | 3.7601E-10 + 4 | 5.8369E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1055E-01 + 2 | 6.3734E-06 + 3 | 7.4174E-11 ++------------+------------+ + Sweep has been running for 0.031641094 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 43 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1055E-01 + 2 | 6.3734E-06 + 3 | 7.4174E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0827E-01 + 2 | 3.7436E-07 + 3 | 1.5354E-24 ++------------+------------+ + Sweep has been running for 0.034142459 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 43 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0827E-01 + 2 | 3.7436E-07 + 3 | 1.5112E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034546628 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 44 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0827E-01 + 2 | 3.7436E-07 + 3 | 1.5062E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0827E-01 + 2 | 3.7436E-07 + 3 | 1.4941E-24 ++------------+------------+ + Sweep has been running for 0.035123184 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 44 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1055E-01 + 2 | 6.3734E-06 + 3 | 7.4174E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1055E-01 + 2 | 6.3734E-06 + 3 | 7.4174E-11 ++------------+------------+ + Sweep has been running for 0.039153976 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 44 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9093E-01 + 2 | 1.5373E-05 + 3 | 3.7601E-10 + 4 | 5.8369E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8740E-01 + 2 | 1.5068E-05 + 3 | 3.6412E-10 + 4 | 5.6202E-15 ++------------+------------+ + Sweep has been running for 0.054591673 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 44 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9032E-01 + 2 | 1.5341E-05 + 3 | 3.7489E-10 + 4 | 5.8847E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1782E-01 + 2 | 4.6991E-06 + 3 | 2.9477E-11 ++------------+------------+ + Sweep has been running for 0.066059446 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 44 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1782E-01 + 2 | 4.6991E-06 + 3 | 2.9477E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6480E-01 + 2 | 1.0851E-06 + 3 | 1.4080E-23 ++------------+------------+ + Sweep has been running for 0.069213613 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 44 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6480E-01 + 2 | 1.0851E-06 + 3 | 1.4071E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.069972496 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 45 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6480E-01 + 2 | 1.0851E-06 + 3 | 1.3924E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6480E-01 + 2 | 1.0851E-06 + 3 | 1.3876E-23 ++------------+------------+ + Sweep has been running for 0.001065756 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 45 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1782E-01 + 2 | 4.6991E-06 + 3 | 2.9477E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1782E-01 + 2 | 4.6991E-06 + 3 | 2.9477E-11 ++------------+------------+ + Sweep has been running for 0.005017022 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 45 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9032E-01 + 2 | 1.5341E-05 + 3 | 3.7489E-10 + 4 | 5.8847E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8732E-01 + 2 | 1.5062E-05 + 3 | 3.6409E-10 + 4 | 5.6219E-15 ++------------+------------+ + Sweep has been running for 0.021021923 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 45 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9085E-01 + 2 | 1.5368E-05 + 3 | 3.7598E-10 + 4 | 5.8385E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1025E-01 + 2 | 6.3592E-06 + 3 | 7.4236E-11 ++------------+------------+ + Sweep has been running for 0.036342362 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 45 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1025E-01 + 2 | 6.3592E-06 + 3 | 7.4236E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0828E-01 + 2 | 3.7458E-07 + 3 | 1.6747E-24 ++------------+------------+ + Sweep has been running for 0.039437626 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 45 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0828E-01 + 2 | 3.7458E-07 + 3 | 1.7011E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.039937283 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 46 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0828E-01 + 2 | 3.7458E-07 + 3 | 1.7095E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0828E-01 + 2 | 3.7458E-07 + 3 | 1.6891E-24 ++------------+------------+ + Sweep has been running for 0.040637524 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 46 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1025E-01 + 2 | 6.3592E-06 + 3 | 7.4236E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1025E-01 + 2 | 6.3592E-06 + 3 | 7.4236E-11 ++------------+------------+ + Sweep has been running for 0.046072582 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 46 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9085E-01 + 2 | 1.5368E-05 + 3 | 3.7598E-10 + 4 | 5.8385E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8730E-01 + 2 | 1.5063E-05 + 3 | 3.6411E-10 + 4 | 5.6213E-15 ++------------+------------+ + Sweep has been running for 0.065416068 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 46 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9030E-01 + 2 | 1.5341E-05 + 3 | 3.7490E-10 + 4 | 5.8842E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1757E-01 + 2 | 4.7018E-06 + 3 | 2.9839E-11 ++------------+------------+ + Sweep has been running for 0.078478506 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 46 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1757E-01 + 2 | 4.7018E-06 + 3 | 2.9839E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6481E-01 + 2 | 1.0854E-06 + 3 | 1.5404E-23 ++------------+------------+ + Sweep has been running for 0.081892277 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 46 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6481E-01 + 2 | 1.0854E-06 + 3 | 1.5245E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.082670269 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 47 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6481E-01 + 2 | 1.0854E-06 + 3 | 1.5476E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6481E-01 + 2 | 1.0854E-06 + 3 | 1.5240E-23 ++------------+------------+ + Sweep has been running for 0.001057091 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 47 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1757E-01 + 2 | 4.7018E-06 + 3 | 2.9839E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1757E-01 + 2 | 4.7018E-06 + 3 | 2.9839E-11 ++------------+------------+ + Sweep has been running for 0.005051409 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 47 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9030E-01 + 2 | 1.5341E-05 + 3 | 3.7490E-10 + 4 | 5.8842E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8722E-01 + 2 | 1.5058E-05 + 3 | 3.6408E-10 + 4 | 5.6224E-15 ++------------+------------+ + Sweep has been running for 0.01937019 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 47 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9077E-01 + 2 | 1.5362E-05 + 3 | 3.7594E-10 + 4 | 5.8395E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0992E-01 + 2 | 6.3436E-06 + 3 | 7.4288E-11 ++------------+------------+ + Sweep has been running for 0.032508461 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 47 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0992E-01 + 2 | 6.3436E-06 + 3 | 7.4288E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0829E-01 + 2 | 3.7481E-07 + 3 | 1.9038E-24 ++------------+------------+ + Sweep has been running for 0.035101837 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 47 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0829E-01 + 2 | 3.7481E-07 + 3 | 1.8664E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035509936 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 48 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0829E-01 + 2 | 3.7481E-07 + 3 | 1.8881E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0829E-01 + 2 | 3.7481E-07 + 3 | 1.8557E-24 ++------------+------------+ + Sweep has been running for 0.036140328 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 48 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0992E-01 + 2 | 6.3436E-06 + 3 | 7.4288E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0992E-01 + 2 | 6.3436E-06 + 3 | 7.4288E-11 ++------------+------------+ + Sweep has been running for 0.04026092 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 48 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9077E-01 + 2 | 1.5362E-05 + 3 | 3.7594E-10 + 4 | 5.8395E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8721E-01 + 2 | 1.5059E-05 + 3 | 3.6414E-10 + 4 | 5.6227E-15 ++------------+------------+ + Sweep has been running for 0.055843643 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 48 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5343E-05 + 3 | 3.7496E-10 + 4 | 5.8846E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1731E-01 + 2 | 4.7043E-06 + 3 | 3.0192E-11 ++------------+------------+ + Sweep has been running for 0.067442481 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 48 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1731E-01 + 2 | 4.7043E-06 + 3 | 3.0192E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6482E-01 + 2 | 1.0857E-06 + 3 | 1.5801E-23 ++------------+------------+ + Sweep has been running for 0.070597532 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 48 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6482E-01 + 2 | 1.0857E-06 + 3 | 1.5676E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.071357729 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 49 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6482E-01 + 2 | 1.0857E-06 + 3 | 1.5692E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6482E-01 + 2 | 1.0857E-06 + 3 | 1.5756E-23 ++------------+------------+ + Sweep has been running for 0.001044976 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 49 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1731E-01 + 2 | 4.7043E-06 + 3 | 3.0192E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1731E-01 + 2 | 4.7043E-06 + 3 | 3.0192E-11 ++------------+------------+ + Sweep has been running for 0.005159856 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 49 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5343E-05 + 3 | 3.7496E-10 + 4 | 5.8846E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8713E-01 + 2 | 1.5054E-05 + 3 | 3.6411E-10 + 4 | 5.6233E-15 ++------------+------------+ + Sweep has been running for 0.019104844 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 49 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9069E-01 + 2 | 1.5357E-05 + 3 | 3.7590E-10 + 4 | 5.8399E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0957E-01 + 2 | 6.3266E-06 + 3 | 7.4330E-11 ++------------+------------+ + Sweep has been running for 0.031925126 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 49 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0957E-01 + 2 | 6.3266E-06 + 3 | 7.4330E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0830E-01 + 2 | 3.7505E-07 + 3 | 1.8169E-24 ++------------+------------+ + Sweep has been running for 0.034427995 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 49 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0830E-01 + 2 | 3.7505E-07 + 3 | 1.7574E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034830609 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 50 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0830E-01 + 2 | 3.7505E-07 + 3 | 1.7656E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0830E-01 + 2 | 3.7505E-07 + 3 | 1.7507E-24 ++------------+------------+ + Sweep has been running for 0.035445803 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 50 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0957E-01 + 2 | 6.3266E-06 + 3 | 7.4330E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0957E-01 + 2 | 6.3266E-06 + 3 | 7.4330E-11 ++------------+------------+ + Sweep has been running for 0.039514373 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 50 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9069E-01 + 2 | 1.5357E-05 + 3 | 3.7590E-10 + 4 | 5.8399E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8712E-01 + 2 | 1.5057E-05 + 3 | 3.6423E-10 + 4 | 5.6246E-15 ++------------+------------+ + Sweep has been running for 0.054712194 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 50 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5345E-05 + 3 | 3.7507E-10 + 4 | 5.8860E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1705E-01 + 2 | 4.7067E-06 + 3 | 3.0537E-11 ++------------+------------+ + Sweep has been running for 0.066046513 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 50 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1705E-01 + 2 | 4.7067E-06 + 3 | 3.0537E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6484E-01 + 2 | 1.0861E-06 + 3 | 1.4213E-23 ++------------+------------+ + Sweep has been running for 0.069205212 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 50 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6484E-01 + 2 | 1.0861E-06 + 3 | 1.4371E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.069939787 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 51 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6484E-01 + 2 | 1.0861E-06 + 3 | 1.4249E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6484E-01 + 2 | 1.0861E-06 + 3 | 1.4485E-23 ++------------+------------+ + Sweep has been running for 0.001118496 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 51 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1705E-01 + 2 | 4.7067E-06 + 3 | 3.0537E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1705E-01 + 2 | 4.7067E-06 + 3 | 3.0537E-11 ++------------+------------+ + Sweep has been running for 0.005267172 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 51 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5345E-05 + 3 | 3.7507E-10 + 4 | 5.8860E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8704E-01 + 2 | 1.5052E-05 + 3 | 3.6420E-10 + 4 | 5.6249E-15 ++------------+------------+ + Sweep has been running for 0.019484707 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 51 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9061E-01 + 2 | 1.5353E-05 + 3 | 3.7587E-10 + 4 | 5.8400E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0920E-01 + 2 | 6.3084E-06 + 3 | 7.4365E-11 ++------------+------------+ + Sweep has been running for 0.032624215 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 51 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0920E-01 + 2 | 6.3084E-06 + 3 | 7.4365E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0831E-01 + 2 | 3.7529E-07 + 3 | 1.7258E-24 ++------------+------------+ + Sweep has been running for 0.035185364 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 51 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0831E-01 + 2 | 3.7529E-07 + 3 | 1.7430E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035628831 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 52 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0831E-01 + 2 | 3.7529E-07 + 3 | 1.7551E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0831E-01 + 2 | 3.7529E-07 + 3 | 1.7319E-24 ++------------+------------+ + Sweep has been running for 0.036203057 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 52 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0920E-01 + 2 | 6.3084E-06 + 3 | 7.4365E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0920E-01 + 2 | 6.3084E-06 + 3 | 7.4365E-11 ++------------+------------+ + Sweep has been running for 0.040290359 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 52 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9061E-01 + 2 | 1.5353E-05 + 3 | 3.7587E-10 + 4 | 5.8400E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8704E-01 + 2 | 1.5056E-05 + 3 | 3.6437E-10 + 4 | 5.6272E-15 ++------------+------------+ + Sweep has been running for 0.055902971 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 52 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5349E-05 + 3 | 3.7524E-10 + 4 | 5.8885E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1679E-01 + 2 | 4.7088E-06 + 3 | 3.0874E-11 ++------------+------------+ + Sweep has been running for 0.067336812 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 52 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1679E-01 + 2 | 4.7088E-06 + 3 | 3.0874E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6486E-01 + 2 | 1.0864E-06 + 3 | 1.3802E-23 ++------------+------------+ + Sweep has been running for 0.070563397 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 52 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6486E-01 + 2 | 1.0864E-06 + 3 | 1.3636E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.071282478 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 53 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6486E-01 + 2 | 1.0864E-06 + 3 | 1.3604E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6486E-01 + 2 | 1.0864E-06 + 3 | 1.3502E-23 ++------------+------------+ + Sweep has been running for 0.001023208 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 53 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1679E-01 + 2 | 4.7088E-06 + 3 | 3.0874E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1679E-01 + 2 | 4.7088E-06 + 3 | 3.0874E-11 ++------------+------------+ + Sweep has been running for 0.004963968 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 53 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5349E-05 + 3 | 3.7524E-10 + 4 | 5.8885E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8696E-01 + 2 | 1.5052E-05 + 3 | 3.6436E-10 + 4 | 5.6271E-15 ++------------+------------+ + Sweep has been running for 0.018985094 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 53 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9054E-01 + 2 | 1.5349E-05 + 3 | 3.7586E-10 + 4 | 5.8398E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0881E-01 + 2 | 6.2890E-06 + 3 | 7.4391E-11 ++------------+------------+ + Sweep has been running for 0.031914137 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 53 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0881E-01 + 2 | 6.2890E-06 + 3 | 7.4391E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0832E-01 + 2 | 3.7555E-07 + 3 | 1.4949E-24 ++------------+------------+ + Sweep has been running for 0.034466829 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 53 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0832E-01 + 2 | 3.7555E-07 + 3 | 1.4581E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034867334 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 54 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0832E-01 + 2 | 3.7555E-07 + 3 | 1.4566E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0832E-01 + 2 | 3.7555E-07 + 3 | 1.4773E-24 ++------------+------------+ + Sweep has been running for 0.03544444 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 54 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0881E-01 + 2 | 6.2890E-06 + 3 | 7.4391E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0881E-01 + 2 | 6.2890E-06 + 3 | 7.4391E-11 ++------------+------------+ + Sweep has been running for 0.039538477 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 54 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9054E-01 + 2 | 1.5349E-05 + 3 | 3.7586E-10 + 4 | 5.8398E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8696E-01 + 2 | 1.5056E-05 + 3 | 3.6457E-10 + 4 | 5.6305E-15 ++------------+------------+ + Sweep has been running for 0.054659457 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 54 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5353E-05 + 3 | 3.7545E-10 + 4 | 5.8921E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1653E-01 + 2 | 4.7108E-06 + 3 | 3.1202E-11 ++------------+------------+ + Sweep has been running for 0.066180718 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 54 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1653E-01 + 2 | 4.7108E-06 + 3 | 3.1202E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6487E-01 + 2 | 1.0868E-06 + 3 | 1.2318E-23 ++------------+------------+ + Sweep has been running for 0.069362277 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 54 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6487E-01 + 2 | 1.0868E-06 + 3 | 1.2181E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070089154 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 55 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6487E-01 + 2 | 1.0868E-06 + 3 | 1.2145E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6487E-01 + 2 | 1.0868E-06 + 3 | 1.2083E-23 ++------------+------------+ + Sweep has been running for 0.001049316 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 55 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1653E-01 + 2 | 4.7108E-06 + 3 | 3.1202E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1653E-01 + 2 | 4.7108E-06 + 3 | 3.1202E-11 ++------------+------------+ + Sweep has been running for 0.00501174 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 55 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5353E-05 + 3 | 3.7545E-10 + 4 | 5.8921E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8689E-01 + 2 | 1.5053E-05 + 3 | 3.6458E-10 + 4 | 5.6303E-15 ++------------+------------+ + Sweep has been running for 0.019148548 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 55 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9047E-01 + 2 | 1.5346E-05 + 3 | 3.7586E-10 + 4 | 5.8394E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0841E-01 + 2 | 6.2688E-06 + 3 | 7.4411E-11 ++------------+------------+ + Sweep has been running for 0.032579843 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 55 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0841E-01 + 2 | 6.2688E-06 + 3 | 7.4411E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0834E-01 + 2 | 3.7581E-07 + 3 | 1.3717E-24 ++------------+------------+ + Sweep has been running for 0.035395665 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 55 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0834E-01 + 2 | 3.7581E-07 + 3 | 1.3532E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035798345 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 56 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0834E-01 + 2 | 3.7581E-07 + 3 | 1.3526E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0834E-01 + 2 | 3.7581E-07 + 3 | 1.2976E-24 ++------------+------------+ + Sweep has been running for 0.036372404 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 56 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0841E-01 + 2 | 6.2688E-06 + 3 | 7.4411E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0841E-01 + 2 | 6.2688E-06 + 3 | 7.4411E-11 ++------------+------------+ + Sweep has been running for 0.040460782 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 56 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9047E-01 + 2 | 1.5346E-05 + 3 | 3.7586E-10 + 4 | 5.8394E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8689E-01 + 2 | 1.5058E-05 + 3 | 3.6483E-10 + 4 | 5.6345E-15 ++------------+------------+ + Sweep has been running for 0.055718978 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 56 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5358E-05 + 3 | 3.7572E-10 + 4 | 5.8966E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1626E-01 + 2 | 4.7127E-06 + 3 | 3.1521E-11 ++------------+------------+ + Sweep has been running for 0.067950196 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 56 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1626E-01 + 2 | 4.7127E-06 + 3 | 3.1521E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6489E-01 + 2 | 1.0872E-06 + 3 | 1.0930E-23 ++------------+------------+ + Sweep has been running for 0.07124301 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 56 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6489E-01 + 2 | 1.0872E-06 + 3 | 1.1065E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.072023062 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 57 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6489E-01 + 2 | 1.0872E-06 + 3 | 1.1192E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6489E-01 + 2 | 1.0872E-06 + 3 | 1.0873E-23 ++------------+------------+ + Sweep has been running for 0.001062755 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 57 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1626E-01 + 2 | 4.7127E-06 + 3 | 3.1521E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1626E-01 + 2 | 4.7127E-06 + 3 | 3.1521E-11 ++------------+------------+ + Sweep has been running for 0.005003741 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 57 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5358E-05 + 3 | 3.7572E-10 + 4 | 5.8966E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8683E-01 + 2 | 1.5056E-05 + 3 | 3.6486E-10 + 4 | 5.6342E-15 ++------------+------------+ + Sweep has been running for 0.019116632 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 57 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9041E-01 + 2 | 1.5344E-05 + 3 | 3.7588E-10 + 4 | 5.8390E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0798E-01 + 2 | 6.2476E-06 + 3 | 7.4424E-11 ++------------+------------+ + Sweep has been running for 0.032062392 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 57 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0798E-01 + 2 | 6.2476E-06 + 3 | 7.4424E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0835E-01 + 2 | 3.7609E-07 + 3 | 1.3325E-24 ++------------+------------+ + Sweep has been running for 0.03455276 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 57 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0835E-01 + 2 | 3.7609E-07 + 3 | 1.3488E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034952597 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 58 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0835E-01 + 2 | 3.7609E-07 + 3 | 1.3733E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0835E-01 + 2 | 3.7609E-07 + 3 | 1.3817E-24 ++------------+------------+ + Sweep has been running for 0.035532387 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 58 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0798E-01 + 2 | 6.2476E-06 + 3 | 7.4424E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0798E-01 + 2 | 6.2476E-06 + 3 | 7.4424E-11 ++------------+------------+ + Sweep has been running for 0.039641204 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 58 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9041E-01 + 2 | 1.5344E-05 + 3 | 3.7588E-10 + 4 | 5.8390E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8683E-01 + 2 | 1.5062E-05 + 3 | 3.6515E-10 + 4 | 5.6393E-15 ++------------+------------+ + Sweep has been running for 0.054881839 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 58 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5363E-05 + 3 | 3.7602E-10 + 4 | 5.9019E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1600E-01 + 2 | 4.7145E-06 + 3 | 3.1832E-11 ++------------+------------+ + Sweep has been running for 0.066181934 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 58 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1600E-01 + 2 | 4.7145E-06 + 3 | 3.1832E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6491E-01 + 2 | 1.0876E-06 + 3 | 1.1734E-23 ++------------+------------+ + Sweep has been running for 0.069335193 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 58 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6491E-01 + 2 | 1.0876E-06 + 3 | 1.1930E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070098252 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 59 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6491E-01 + 2 | 1.0876E-06 + 3 | 1.2314E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6491E-01 + 2 | 1.0876E-06 + 3 | 1.2449E-23 ++------------+------------+ + Sweep has been running for 0.001081571 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 59 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1600E-01 + 2 | 4.7145E-06 + 3 | 3.1832E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1600E-01 + 2 | 4.7145E-06 + 3 | 3.1832E-11 ++------------+------------+ + Sweep has been running for 0.005077468 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 59 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5363E-05 + 3 | 3.7602E-10 + 4 | 5.9019E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8677E-01 + 2 | 1.5061E-05 + 3 | 3.6520E-10 + 4 | 5.6391E-15 ++------------+------------+ + Sweep has been running for 0.019085278 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 59 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9036E-01 + 2 | 1.5343E-05 + 3 | 3.7593E-10 + 4 | 5.8388E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0754E-01 + 2 | 6.2257E-06 + 3 | 7.4430E-11 ++------------+------------+ + Sweep has been running for 0.032463167 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 59 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0754E-01 + 2 | 6.2257E-06 + 3 | 7.4430E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0836E-01 + 2 | 3.7636E-07 + 3 | 1.3743E-24 ++------------+------------+ + Sweep has been running for 0.035082093 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 59 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0836E-01 + 2 | 3.7636E-07 + 3 | 1.3885E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035482687 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 60 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0836E-01 + 2 | 3.7636E-07 + 3 | 1.4073E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0836E-01 + 2 | 3.7636E-07 + 3 | 1.4204E-24 ++------------+------------+ + Sweep has been running for 0.036124439 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 60 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0754E-01 + 2 | 6.2257E-06 + 3 | 7.4430E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0754E-01 + 2 | 6.2257E-06 + 3 | 7.4430E-11 ++------------+------------+ + Sweep has been running for 0.040290632 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 60 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9036E-01 + 2 | 1.5343E-05 + 3 | 3.7593E-10 + 4 | 5.8388E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8678E-01 + 2 | 1.5066E-05 + 3 | 3.6552E-10 + 4 | 5.6447E-15 ++------------+------------+ + Sweep has been running for 0.055470792 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 60 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5369E-05 + 3 | 3.7635E-10 + 4 | 5.9079E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1574E-01 + 2 | 4.7162E-06 + 3 | 3.2135E-11 ++------------+------------+ + Sweep has been running for 0.0668271 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 60 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1574E-01 + 2 | 4.7162E-06 + 3 | 3.2135E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6492E-01 + 2 | 1.0880E-06 + 3 | 1.0345E-23 ++------------+------------+ + Sweep has been running for 0.070015999 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 60 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6492E-01 + 2 | 1.0880E-06 + 3 | 1.0417E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070735878 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 61 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6492E-01 + 2 | 1.0880E-06 + 3 | 1.0436E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6492E-01 + 2 | 1.0880E-06 + 3 | 1.0525E-23 ++------------+------------+ + Sweep has been running for 0.00117111 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 61 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1574E-01 + 2 | 4.7162E-06 + 3 | 3.2135E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1574E-01 + 2 | 4.7162E-06 + 3 | 3.2135E-11 ++------------+------------+ + Sweep has been running for 0.005614001 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 61 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5369E-05 + 3 | 3.7635E-10 + 4 | 5.9079E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8672E-01 + 2 | 1.5066E-05 + 3 | 3.6558E-10 + 4 | 5.6447E-15 ++------------+------------+ + Sweep has been running for 0.021338269 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 61 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9030E-01 + 2 | 1.5343E-05 + 3 | 3.7599E-10 + 4 | 5.8387E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0709E-01 + 2 | 6.2031E-06 + 3 | 7.4431E-11 ++------------+------------+ + Sweep has been running for 0.03592966 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 61 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0709E-01 + 2 | 6.2031E-06 + 3 | 7.4431E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0838E-01 + 2 | 3.7665E-07 + 3 | 1.2440E-24 ++------------+------------+ + Sweep has been running for 0.038947443 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 61 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0838E-01 + 2 | 3.7665E-07 + 3 | 1.2575E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.039413379 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 62 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0838E-01 + 2 | 3.7665E-07 + 3 | 1.2748E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0838E-01 + 2 | 3.7665E-07 + 3 | 1.3127E-24 ++------------+------------+ + Sweep has been running for 0.04010499 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 62 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0709E-01 + 2 | 6.2031E-06 + 3 | 7.4431E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0709E-01 + 2 | 6.2031E-06 + 3 | 7.4431E-11 ++------------+------------+ + Sweep has been running for 0.044768937 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 62 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9030E-01 + 2 | 1.5343E-05 + 3 | 3.7599E-10 + 4 | 5.8387E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8673E-01 + 2 | 1.5072E-05 + 3 | 3.6592E-10 + 4 | 5.6508E-15 ++------------+------------+ + Sweep has been running for 0.061436412 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 62 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5375E-05 + 3 | 3.7669E-10 + 4 | 5.9144E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1548E-01 + 2 | 4.7179E-06 + 3 | 3.2430E-11 ++------------+------------+ + Sweep has been running for 0.072844651 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 62 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1548E-01 + 2 | 4.7179E-06 + 3 | 3.2430E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6494E-01 + 2 | 1.0885E-06 + 3 | 1.0908E-23 ++------------+------------+ + Sweep has been running for 0.076073786 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 62 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6494E-01 + 2 | 1.0885E-06 + 3 | 1.0723E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.076838026 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 63 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6494E-01 + 2 | 1.0885E-06 + 3 | 1.0981E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6494E-01 + 2 | 1.0885E-06 + 3 | 1.0857E-23 ++------------+------------+ + Sweep has been running for 0.001238575 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 63 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1548E-01 + 2 | 4.7179E-06 + 3 | 3.2430E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1548E-01 + 2 | 4.7179E-06 + 3 | 3.2430E-11 ++------------+------------+ + Sweep has been running for 0.005732541 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 63 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5375E-05 + 3 | 3.7669E-10 + 4 | 5.9144E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8668E-01 + 2 | 1.5073E-05 + 3 | 3.6601E-10 + 4 | 5.6509E-15 ++------------+------------+ + Sweep has been running for 0.022932974 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 63 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9026E-01 + 2 | 1.5343E-05 + 3 | 3.7608E-10 + 4 | 5.8388E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0662E-01 + 2 | 6.1800E-06 + 3 | 7.4425E-11 ++------------+------------+ + Sweep has been running for 0.036169659 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 63 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0662E-01 + 2 | 6.1800E-06 + 3 | 7.4425E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0839E-01 + 2 | 3.7694E-07 + 3 | 1.2702E-24 ++------------+------------+ + Sweep has been running for 0.038750092 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 63 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0839E-01 + 2 | 3.7694E-07 + 3 | 1.2823E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.039149998 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 64 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0839E-01 + 2 | 3.7694E-07 + 3 | 1.2672E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0839E-01 + 2 | 3.7694E-07 + 3 | 1.2802E-24 ++------------+------------+ + Sweep has been running for 0.039787348 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 64 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0662E-01 + 2 | 6.1800E-06 + 3 | 7.4425E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0662E-01 + 2 | 6.1800E-06 + 3 | 7.4425E-11 ++------------+------------+ + Sweep has been running for 0.043813439 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 64 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9026E-01 + 2 | 1.5343E-05 + 3 | 3.7608E-10 + 4 | 5.8388E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8668E-01 + 2 | 1.5079E-05 + 3 | 3.6636E-10 + 4 | 5.6573E-15 ++------------+------------+ + Sweep has been running for 0.059415668 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 64 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5381E-05 + 3 | 3.7706E-10 + 4 | 5.9212E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1522E-01 + 2 | 4.7195E-06 + 3 | 3.2717E-11 ++------------+------------+ + Sweep has been running for 0.070660353 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 64 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1522E-01 + 2 | 4.7195E-06 + 3 | 3.2717E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6496E-01 + 2 | 1.0889E-06 + 3 | 1.1446E-23 ++------------+------------+ + Sweep has been running for 0.073906341 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 64 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6496E-01 + 2 | 1.0889E-06 + 3 | 1.1353E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.074662205 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 65 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6496E-01 + 2 | 1.0889E-06 + 3 | 1.1173E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6496E-01 + 2 | 1.0889E-06 + 3 | 1.1176E-23 ++------------+------------+ + Sweep has been running for 0.00107406 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 65 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1522E-01 + 2 | 4.7195E-06 + 3 | 3.2717E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1522E-01 + 2 | 4.7195E-06 + 3 | 3.2717E-11 ++------------+------------+ + Sweep has been running for 0.005021795 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 65 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5381E-05 + 3 | 3.7706E-10 + 4 | 5.9212E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8664E-01 + 2 | 1.5080E-05 + 3 | 3.6646E-10 + 4 | 5.6577E-15 ++------------+------------+ + Sweep has been running for 0.01876497 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 65 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9022E-01 + 2 | 1.5344E-05 + 3 | 3.7618E-10 + 4 | 5.8392E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0615E-01 + 2 | 6.1564E-06 + 3 | 7.4413E-11 ++------------+------------+ + Sweep has been running for 0.031589492 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 65 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0615E-01 + 2 | 6.1564E-06 + 3 | 7.4413E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0841E-01 + 2 | 3.7724E-07 + 3 | 1.4010E-24 ++------------+------------+ + Sweep has been running for 0.034163496 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 65 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0841E-01 + 2 | 3.7724E-07 + 3 | 1.3729E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034563128 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 66 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0841E-01 + 2 | 3.7724E-07 + 3 | 1.3837E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0841E-01 + 2 | 3.7724E-07 + 3 | 1.3991E-24 ++------------+------------+ + Sweep has been running for 0.035199972 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 66 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0615E-01 + 2 | 6.1564E-06 + 3 | 7.4413E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0615E-01 + 2 | 6.1564E-06 + 3 | 7.4413E-11 ++------------+------------+ + Sweep has been running for 0.039341006 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 66 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9022E-01 + 2 | 1.5344E-05 + 3 | 3.7618E-10 + 4 | 5.8392E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8664E-01 + 2 | 1.5086E-05 + 3 | 3.6681E-10 + 4 | 5.6642E-15 ++------------+------------+ + Sweep has been running for 0.054803976 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 66 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5387E-05 + 3 | 3.7742E-10 + 4 | 5.9281E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1497E-01 + 2 | 4.7210E-06 + 3 | 3.2997E-11 ++------------+------------+ + Sweep has been running for 0.06607444 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 66 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1497E-01 + 2 | 4.7210E-06 + 3 | 3.2997E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6498E-01 + 2 | 1.0894E-06 + 3 | 1.1609E-23 ++------------+------------+ + Sweep has been running for 0.069328494 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 66 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6498E-01 + 2 | 1.0894E-06 + 3 | 1.1694E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070085789 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 67 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6498E-01 + 2 | 1.0894E-06 + 3 | 1.1952E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6498E-01 + 2 | 1.0894E-06 + 3 | 1.1960E-23 ++------------+------------+ + Sweep has been running for 0.001098447 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 67 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1497E-01 + 2 | 4.7210E-06 + 3 | 3.2997E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1497E-01 + 2 | 4.7210E-06 + 3 | 3.2997E-11 ++------------+------------+ + Sweep has been running for 0.005266948 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 67 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5387E-05 + 3 | 3.7742E-10 + 4 | 5.9281E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8660E-01 + 2 | 1.5088E-05 + 3 | 3.6693E-10 + 4 | 5.6648E-15 ++------------+------------+ + Sweep has been running for 0.019287825 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 67 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9019E-01 + 2 | 1.5346E-05 + 3 | 3.7630E-10 + 4 | 5.8399E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0567E-01 + 2 | 6.1324E-06 + 3 | 7.4396E-11 ++------------+------------+ + Sweep has been running for 0.032105807 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 67 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0567E-01 + 2 | 6.1324E-06 + 3 | 7.4396E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0842E-01 + 2 | 3.7754E-07 + 3 | 1.3118E-24 ++------------+------------+ + Sweep has been running for 0.034645237 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 67 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0842E-01 + 2 | 3.7754E-07 + 3 | 1.3284E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035045296 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 68 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0842E-01 + 2 | 3.7754E-07 + 3 | 1.3410E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0842E-01 + 2 | 3.7754E-07 + 3 | 1.3443E-24 ++------------+------------+ + Sweep has been running for 0.035628513 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 68 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0567E-01 + 2 | 6.1324E-06 + 3 | 7.4396E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0567E-01 + 2 | 6.1324E-06 + 3 | 7.4396E-11 ++------------+------------+ + Sweep has been running for 0.039778655 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 68 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9019E-01 + 2 | 1.5346E-05 + 3 | 3.7630E-10 + 4 | 5.8399E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8660E-01 + 2 | 1.5093E-05 + 3 | 3.6728E-10 + 4 | 5.6714E-15 ++------------+------------+ + Sweep has been running for 0.055452391 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 68 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5393E-05 + 3 | 3.7778E-10 + 4 | 5.9351E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1472E-01 + 2 | 4.7225E-06 + 3 | 3.3269E-11 ++------------+------------+ + Sweep has been running for 0.066721965 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 68 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1472E-01 + 2 | 4.7225E-06 + 3 | 3.3269E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6500E-01 + 2 | 1.0899E-06 + 3 | 1.1611E-23 ++------------+------------+ + Sweep has been running for 0.069866116 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 68 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6500E-01 + 2 | 1.0899E-06 + 3 | 1.1346E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070628502 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 69 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6500E-01 + 2 | 1.0899E-06 + 3 | 1.1578E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6500E-01 + 2 | 1.0899E-06 + 3 | 1.1380E-23 ++------------+------------+ + Sweep has been running for 0.001005613 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 69 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1472E-01 + 2 | 4.7225E-06 + 3 | 3.3269E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1472E-01 + 2 | 4.7225E-06 + 3 | 3.3269E-11 ++------------+------------+ + Sweep has been running for 0.004892387 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 69 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9029E-01 + 2 | 1.5393E-05 + 3 | 3.7778E-10 + 4 | 5.9351E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8657E-01 + 2 | 1.5096E-05 + 3 | 3.6740E-10 + 4 | 5.6723E-15 ++------------+------------+ + Sweep has been running for 0.018731558 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 69 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9016E-01 + 2 | 1.5349E-05 + 3 | 3.7643E-10 + 4 | 5.8409E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0518E-01 + 2 | 6.1082E-06 + 3 | 7.4372E-11 ++------------+------------+ + Sweep has been running for 0.031556026 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 69 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0518E-01 + 2 | 6.1082E-06 + 3 | 7.4372E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0844E-01 + 2 | 3.7785E-07 + 3 | 1.2819E-24 ++------------+------------+ + Sweep has been running for 0.034071352 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 69 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0844E-01 + 2 | 3.7785E-07 + 3 | 1.3122E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.034470695 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 70 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0844E-01 + 2 | 3.7785E-07 + 3 | 1.2906E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0844E-01 + 2 | 3.7785E-07 + 3 | 1.2997E-24 ++------------+------------+ + Sweep has been running for 0.035050631 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 70 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0518E-01 + 2 | 6.1082E-06 + 3 | 7.4372E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0518E-01 + 2 | 6.1082E-06 + 3 | 7.4372E-11 ++------------+------------+ + Sweep has been running for 0.039131093 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 70 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9016E-01 + 2 | 1.5349E-05 + 3 | 3.7643E-10 + 4 | 5.8409E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8657E-01 + 2 | 1.5101E-05 + 3 | 3.6774E-10 + 4 | 5.6788E-15 ++------------+------------+ + Sweep has been running for 0.054539014 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 70 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5398E-05 + 3 | 3.7813E-10 + 4 | 5.9419E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1447E-01 + 2 | 4.7240E-06 + 3 | 3.3535E-11 ++------------+------------+ + Sweep has been running for 0.066090868 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 70 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1447E-01 + 2 | 4.7240E-06 + 3 | 3.3535E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6502E-01 + 2 | 1.0904E-06 + 3 | 1.0549E-23 ++------------+------------+ + Sweep has been running for 0.069253506 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 70 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6502E-01 + 2 | 1.0904E-06 + 3 | 1.0679E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070014787 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 71 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6502E-01 + 2 | 1.0904E-06 + 3 | 1.0692E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6502E-01 + 2 | 1.0904E-06 + 3 | 1.0962E-23 ++------------+------------+ + Sweep has been running for 0.001061756 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 71 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1447E-01 + 2 | 4.7240E-06 + 3 | 3.3535E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1447E-01 + 2 | 4.7240E-06 + 3 | 3.3535E-11 ++------------+------------+ + Sweep has been running for 0.005393231 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 71 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9028E-01 + 2 | 1.5398E-05 + 3 | 3.7813E-10 + 4 | 5.9419E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8654E-01 + 2 | 1.5103E-05 + 3 | 3.6788E-10 + 4 | 5.6799E-15 ++------------+------------+ + Sweep has been running for 0.019334777 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 71 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9013E-01 + 2 | 1.5352E-05 + 3 | 3.7658E-10 + 4 | 5.8421E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0468E-01 + 2 | 6.0837E-06 + 3 | 7.4343E-11 ++------------+------------+ + Sweep has been running for 0.032568689 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 71 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0468E-01 + 2 | 6.0837E-06 + 3 | 7.4343E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0845E-01 + 2 | 3.7817E-07 + 3 | 1.2511E-24 ++------------+------------+ + Sweep has been running for 0.035111283 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 71 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0845E-01 + 2 | 3.7817E-07 + 3 | 1.2613E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035540111 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 72 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0845E-01 + 2 | 3.7817E-07 + 3 | 1.2493E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0845E-01 + 2 | 3.7817E-07 + 3 | 1.2425E-24 ++------------+------------+ + Sweep has been running for 0.036131336 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 72 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0468E-01 + 2 | 6.0837E-06 + 3 | 7.4343E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0468E-01 + 2 | 6.0837E-06 + 3 | 7.4343E-11 ++------------+------------+ + Sweep has been running for 0.040222537 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 72 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9013E-01 + 2 | 1.5352E-05 + 3 | 3.7658E-10 + 4 | 5.8421E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8653E-01 + 2 | 1.5108E-05 + 3 | 3.6820E-10 + 4 | 5.6862E-15 ++------------+------------+ + Sweep has been running for 0.05573143 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 72 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9027E-01 + 2 | 1.5402E-05 + 3 | 3.7846E-10 + 4 | 5.9485E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1423E-01 + 2 | 4.7254E-06 + 3 | 3.3795E-11 ++------------+------------+ + Sweep has been running for 0.067207627 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 72 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1423E-01 + 2 | 4.7254E-06 + 3 | 3.3795E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6504E-01 + 2 | 1.0909E-06 + 3 | 1.0911E-23 ++------------+------------+ + Sweep has been running for 0.070455462 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 72 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6504E-01 + 2 | 1.0909E-06 + 3 | 1.0914E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.07117023 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 73 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6504E-01 + 2 | 1.0909E-06 + 3 | 1.0668E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6504E-01 + 2 | 1.0909E-06 + 3 | 1.0485E-23 ++------------+------------+ + Sweep has been running for 0.001046154 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 73 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1423E-01 + 2 | 4.7254E-06 + 3 | 3.3795E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1423E-01 + 2 | 4.7254E-06 + 3 | 3.3795E-11 ++------------+------------+ + Sweep has been running for 0.004991379 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 73 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9027E-01 + 2 | 1.5402E-05 + 3 | 3.7846E-10 + 4 | 5.9485E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8651E-01 + 2 | 1.5111E-05 + 3 | 3.6834E-10 + 4 | 5.6875E-15 ++------------+------------+ + Sweep has been running for 0.019310384 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 73 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9011E-01 + 2 | 1.5355E-05 + 3 | 3.7673E-10 + 4 | 5.8435E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0418E-01 + 2 | 6.0591E-06 + 3 | 7.4309E-11 ++------------+------------+ + Sweep has been running for 0.032911392 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 73 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0418E-01 + 2 | 6.0591E-06 + 3 | 7.4309E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0847E-01 + 2 | 3.7849E-07 + 3 | 1.3447E-24 ++------------+------------+ + Sweep has been running for 0.03542469 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 73 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0847E-01 + 2 | 3.7849E-07 + 3 | 1.3586E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035830753 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 74 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0847E-01 + 2 | 3.7849E-07 + 3 | 1.3985E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0847E-01 + 2 | 3.7849E-07 + 3 | 1.4277E-24 ++------------+------------+ + Sweep has been running for 0.036410408 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 74 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0418E-01 + 2 | 6.0591E-06 + 3 | 7.4309E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0418E-01 + 2 | 6.0591E-06 + 3 | 7.4309E-11 ++------------+------------+ + Sweep has been running for 0.040471831 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 74 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9011E-01 + 2 | 1.5355E-05 + 3 | 3.7673E-10 + 4 | 5.8435E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8650E-01 + 2 | 1.5115E-05 + 3 | 3.6865E-10 + 4 | 5.6936E-15 ++------------+------------+ + Sweep has been running for 0.056045743 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 74 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9026E-01 + 2 | 1.5407E-05 + 3 | 3.7878E-10 + 4 | 5.9548E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1399E-01 + 2 | 4.7269E-06 + 3 | 3.4048E-11 ++------------+------------+ + Sweep has been running for 0.068185383 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 74 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1399E-01 + 2 | 4.7269E-06 + 3 | 3.4048E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6506E-01 + 2 | 1.0914E-06 + 3 | 1.2243E-23 ++------------+------------+ + Sweep has been running for 0.071434378 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 74 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6506E-01 + 2 | 1.0914E-06 + 3 | 1.1868E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.07232408 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 75 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6506E-01 + 2 | 1.0914E-06 + 3 | 1.1882E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6506E-01 + 2 | 1.0914E-06 + 3 | 1.1909E-23 ++------------+------------+ + Sweep has been running for 0.001134648 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 75 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1399E-01 + 2 | 4.7269E-06 + 3 | 3.4048E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1399E-01 + 2 | 4.7269E-06 + 3 | 3.4048E-11 ++------------+------------+ + Sweep has been running for 0.00517343 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 75 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9026E-01 + 2 | 1.5407E-05 + 3 | 3.7878E-10 + 4 | 5.9548E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8648E-01 + 2 | 1.5119E-05 + 3 | 3.6880E-10 + 4 | 5.6951E-15 ++------------+------------+ + Sweep has been running for 0.019524838 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 75 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9009E-01 + 2 | 1.5358E-05 + 3 | 3.7688E-10 + 4 | 5.8452E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0368E-01 + 2 | 6.0344E-06 + 3 | 7.4268E-11 ++------------+------------+ + Sweep has been running for 0.032698064 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 75 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0368E-01 + 2 | 6.0344E-06 + 3 | 7.4268E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0849E-01 + 2 | 3.7881E-07 + 3 | 1.3591E-24 ++------------+------------+ + Sweep has been running for 0.035268216 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 75 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0849E-01 + 2 | 3.7881E-07 + 3 | 1.3677E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035678689 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 76 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0849E-01 + 2 | 3.7881E-07 + 3 | 1.3594E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0849E-01 + 2 | 3.7881E-07 + 3 | 1.3563E-24 ++------------+------------+ + Sweep has been running for 0.036311124 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 76 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0368E-01 + 2 | 6.0344E-06 + 3 | 7.4268E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0368E-01 + 2 | 6.0344E-06 + 3 | 7.4268E-11 ++------------+------------+ + Sweep has been running for 0.040440677 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 76 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9009E-01 + 2 | 1.5358E-05 + 3 | 3.7688E-10 + 4 | 5.8452E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8647E-01 + 2 | 1.5122E-05 + 3 | 3.6909E-10 + 4 | 5.7009E-15 ++------------+------------+ + Sweep has been running for 0.056091155 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 76 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9025E-01 + 2 | 1.5410E-05 + 3 | 3.7908E-10 + 4 | 5.9608E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1376E-01 + 2 | 4.7283E-06 + 3 | 3.4295E-11 ++------------+------------+ + Sweep has been running for 0.067695226 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 76 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1376E-01 + 2 | 4.7283E-06 + 3 | 3.4295E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6508E-01 + 2 | 1.0920E-06 + 3 | 1.2608E-23 ++------------+------------+ + Sweep has been running for 0.070971164 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 76 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6508E-01 + 2 | 1.0920E-06 + 3 | 1.2958E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.071727731 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 77 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6508E-01 + 2 | 1.0920E-06 + 3 | 1.3081E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6508E-01 + 2 | 1.0920E-06 + 3 | 1.2972E-23 ++------------+------------+ + Sweep has been running for 0.00103644 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 77 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1376E-01 + 2 | 4.7283E-06 + 3 | 3.4295E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1376E-01 + 2 | 4.7283E-06 + 3 | 3.4295E-11 ++------------+------------+ + Sweep has been running for 0.004964052 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 77 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9025E-01 + 2 | 1.5410E-05 + 3 | 3.7908E-10 + 4 | 5.9608E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8645E-01 + 2 | 1.5126E-05 + 3 | 3.6924E-10 + 4 | 5.7027E-15 ++------------+------------+ + Sweep has been running for 0.019168198 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 77 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9008E-01 + 2 | 1.5362E-05 + 3 | 3.7704E-10 + 4 | 5.8471E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0318E-01 + 2 | 6.0096E-06 + 3 | 7.4222E-11 ++------------+------------+ + Sweep has been running for 0.032223528 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 77 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0318E-01 + 2 | 6.0096E-06 + 3 | 7.4222E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0851E-01 + 2 | 3.7914E-07 + 3 | 1.6499E-24 ++------------+------------+ + Sweep has been running for 0.034727185 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 77 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0851E-01 + 2 | 3.7914E-07 + 3 | 1.6868E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.035127767 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 78 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0851E-01 + 2 | 3.7914E-07 + 3 | 1.6886E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0851E-01 + 2 | 3.7914E-07 + 3 | 1.6933E-24 ++------------+------------+ + Sweep has been running for 0.035710758 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 78 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0318E-01 + 2 | 6.0096E-06 + 3 | 7.4222E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0318E-01 + 2 | 6.0096E-06 + 3 | 7.4222E-11 ++------------+------------+ + Sweep has been running for 0.039784425 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 78 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9008E-01 + 2 | 1.5362E-05 + 3 | 3.7704E-10 + 4 | 5.8471E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8644E-01 + 2 | 1.5129E-05 + 3 | 3.6952E-10 + 4 | 5.7081E-15 ++------------+------------+ + Sweep has been running for 0.055071955 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 78 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9023E-01 + 2 | 1.5413E-05 + 3 | 3.7936E-10 + 4 | 5.9665E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1353E-01 + 2 | 4.7298E-06 + 3 | 3.4536E-11 ++------------+------------+ + Sweep has been running for 0.066419534 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 78 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1353E-01 + 2 | 4.7298E-06 + 3 | 3.4536E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6510E-01 + 2 | 1.0925E-06 + 3 | 1.3647E-23 ++------------+------------+ + Sweep has been running for 0.069574267 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 78 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6510E-01 + 2 | 1.0925E-06 + 3 | 1.3406E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.070289348 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 79 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6510E-01 + 2 | 1.0925E-06 + 3 | 1.3594E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6510E-01 + 2 | 1.0925E-06 + 3 | 1.3707E-23 ++------------+------------+ + Sweep has been running for 0.001079947 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 79 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1353E-01 + 2 | 4.7298E-06 + 3 | 3.4536E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1353E-01 + 2 | 4.7298E-06 + 3 | 3.4536E-11 ++------------+------------+ + Sweep has been running for 0.005340572 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 79 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9023E-01 + 2 | 1.5413E-05 + 3 | 3.7936E-10 + 4 | 5.9665E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8642E-01 + 2 | 1.5132E-05 + 3 | 3.6967E-10 + 4 | 5.7100E-15 ++------------+------------+ + Sweep has been running for 0.020016394 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 79 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9007E-01 + 2 | 1.5365E-05 + 3 | 3.7720E-10 + 4 | 5.8491E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0268E-01 + 2 | 5.9850E-06 + 3 | 7.4171E-11 ++------------+------------+ + Sweep has been running for 0.0332547 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 79 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0268E-01 + 2 | 5.9850E-06 + 3 | 7.4171E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0852E-01 + 2 | 3.7947E-07 + 3 | 1.7443E-24 ++------------+------------+ + Sweep has been running for 0.035770598 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 79 - site number 5 + +-----------------------------------+ + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0852E-01 + 2 | 3.7947E-07 + 3 | 1.7667E-24 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.036172689 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 80 - site number 5 + +-----------------------------------+ +Syncing storage + +Forward propagating the 5-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0852E-01 + 2 | 3.7947E-07 + 3 | 1.7279E-24 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0852E-01 + 2 | 3.7947E-07 + 3 | 1.7148E-24 ++------------+------------+ + Sweep has been running for 0.036822986 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 80 - site number 4 + +-----------------------------------+ + +Forward propagating the 4-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0268E-01 + 2 | 5.9850E-06 + 3 | 7.4171E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0268E-01 + 2 | 5.9850E-06 + 3 | 7.4171E-11 ++------------+------------+ + Sweep has been running for 0.041323783 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 80 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9007E-01 + 2 | 1.5365E-05 + 3 | 3.7720E-10 + 4 | 5.8491E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 30 -> 30 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.8641E-01 + 2 | 1.5135E-05 + 3 | 3.6992E-10 + 4 | 5.7152E-15 ++------------+------------+ + Sweep has been running for 0.057995666 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 80 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9022E-01 + 2 | 1.5416E-05 + 3 | 3.7961E-10 + 4 | 5.9718E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 10 -> 10 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1331E-01 + 2 | 4.7312E-06 + 3 | 3.4772E-11 ++------------+------------+ + Sweep has been running for 0.069569058 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 80 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1331E-01 + 2 | 4.7312E-06 + 3 | 3.4772E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-08 +Sum: 3 -> 3 + +Backward propagating the ZeroSiteTensor object ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6512E-01 + 2 | 1.0931E-06 + 3 | 1.5221E-23 ++------------+------------+ + Sweep has been running for 0.072737862 seconds. + +Memory usage : 197144 197144 + +-----------------------------------+ + Sweep number 80 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6512E-01 + 2 | 1.0931E-06 + 3 | 1.5532E-23 ++------------+------------+ + Energy after = -5.337767121 + Energy with core = -229.6077989 +Cutoff - 1e-50 + Sweep has been running for 0.07346361 seconds. + +Memory usage : 197144 197144 +Task took 10.486966 seconds. diff --git a/examples/TD-DMRG/Benzene_6e6o.TD.TS.inp b/examples/TD-DMRG/Benzene_6e6o.TD.TS.inp new file mode 100644 index 000000000..daa045a5d --- /dev/null +++ b/examples/TD-DMRG/Benzene_6e6o.TD.TS.inp @@ -0,0 +1,44 @@ +// +---------------------------------------------------+ +// EXAMPLE 1: Real-time DMRG with CAS(6,6) for benzene +// +---------------------------------------------------+ + +// -- General parameters -- +L = 6 +max_bond_dimension = 100 +nsweeps = 40 +irrep = 0 +nelec = 6 +spin = 0 +symmetry = 'su2u1pg' +LATTICE = "orbitals" +CONSERVED_QUANTUMNUMBERS = "Nup,Ndown" +MODEL = "quantum_chemistry" +integral_file = "FCIDUMP_Benzene_631Gs_CAS6-6" +lattice_library = "coded" +model_library = "coded" +optimization = twosite +use_compressed = 0 +conv_thresh = 0.100000E-40 + +// -- SVD truncation -- +truncation_initial = 1e-50 +truncation_final = 1e-50 + +// -- Initialization and storage information -- +init_state = 'default' +chkpfile = 'Benzene_6e6o.TD.TS.checkpoint_state.0.h5' +resultfile = 'Benzene_6e6o.TD.TS.results_state.0.h5' + +// -- Jacobi-Davidson parameters -- +ietl_jcd_maxiter = 10 +ietl_jcd_tol = 1e-8 +conv_thresh = -1 +integral_cutoff = 1e-300 + +// -- Time-dependent simulation -- +simulation_type = TD +propagator_accuracy = 1.0E-10 +propagator_maxiter = 10 +time_step = 1 +hamiltonian_units = "Hartree" +time_units = "as" diff --git a/examples/TD-DMRG/Benzene_6e6o.TD.TS.out b/examples/TD-DMRG/Benzene_6e6o.TD.TS.out new file mode 100644 index 000000000..2edcfe29c --- /dev/null +++ b/examples/TD-DMRG/Benzene_6e6o.TD.TS.out @@ -0,0 +1,8353 @@ + SCINE QCMaquis + Quantum Chemical Density Matrix Renormalization group + available from https://scine.ethz.ch/download/qcmaquis + based on the ALPS MPS codes from http://alps.comp-phys.org/ + copyright (c) 2015-2018 Laboratory of Physical Chemistry, ETH Zurich + copyright (c) 2012-2016 by Sebastian Keller + copyright (c) 2016-2021 by Alberto Baiardi, Leon Freitag, + Stefan Knecht, Yingjin Ma + for details see the publication: + A. Baiardi, J. Chem. Theory Comput. 17, 3320 (2021) + +This binary contains symmetries: 2u1pg su2u1pg +DMRG version 3.0.3-c9226cb4dd8f33d7d233f08719e042f47097dbf3 (TDDMRG-Merge) release-3.0.2-gitlab +Temporary storage is disabled +The hamiltonian will contain 673 terms +MPO Bond 0: 48/17 +MPO Bond 1: 54/20 +MPO Bond 2: 68/27 +MPO Bond 3: 90/38 +MPO Bond 4: 10/3 +MPO Bond 5: 1/0 +Right end: <6,0,0> +MPS initialization has finished... +Partial initialization of boundaries completed. +Full initialization of boundaries completed. +Done init_left_right +TSMPOTensor: 1x54, 54 operators, 54 tags +TSMPOTensor: 48x68, 175 operators, 126 tags +TSMPOTensor: 54x90, 247 operators, 172 tags +TSMPOTensor: 68x10, 173 operators, 152 tags +TSMPOTensor: 90x1, 90 operators, 62 tags +Total number of tags: 566 + +--------------------------------------------+ + Sweep number 1 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2684E-01 + 2 | 6.1220E-06 + 3 | 4.2796E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2684E-01 + 2 | 6.1220E-06 + 3 | 4.2796E-11 ++------------+------------+ +Memory usage : 199584 199584 +Sweep has been running for 0.004692729 seconds. + +--------------------------------------------+ + Sweep number 1 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9152E-01 + 2 | 1.5422E-05 + 3 | 3.7920E-10 + 4 | 5.9739E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9152E-01 + 2 | 1.5422E-05 + 3 | 3.7920E-10 + 4 | 5.9739E-15 ++------------+------------+ +Memory usage : 199584 199584 +Sweep has been running for 0.023843666 seconds. + +--------------------------------------------+ + Sweep number 1 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 199856 199856 +Sweep has been running for 0.050096755 seconds. + +--------------------------------------------+ + Sweep number 1 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.1899E-06 + 3 | 4.2008E-11 ++------------+------------+ +Memory usage : 199856 199856 +Sweep has been running for 0.062225129 seconds. + +--------------------------------------------+ + Sweep number 1 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.1899E-06 + 3 | 4.2008E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 199856 199856 +Sweep has been running for 0.06435298 seconds. + +--------------------------------------------+ + Sweep number 2 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.1899E-06 + 3 | 4.2008E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1065E-01 + 2 | 5.1899E-06 + 3 | 4.2008E-11 ++------------+------------+ +Memory usage : 199856 199856 +Sweep has been running for 0.067858319 seconds. + +--------------------------------------------+ + Sweep number 2 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 199856 199856 +Sweep has been running for 0.087699298 seconds. + +--------------------------------------------+ + Sweep number 2 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 199992 199992 +Sweep has been running for 0.113113456 seconds. + +--------------------------------------------+ + Sweep number 2 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2460E-01 + 2 | 5.5396E-06 + 3 | 3.7561E-11 ++------------+------------+ +Memory usage : 200040 200040 +Sweep has been running for 0.126714279 seconds. + +--------------------------------------------+ + Sweep number 2 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2460E-01 + 2 | 5.5396E-06 + 3 | 3.7561E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 200040 200040 +Sweep has been running for 0.12928748 seconds. + +--------------------------------------------+ + Sweep number 3 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2460E-01 + 2 | 5.5396E-06 + 3 | 3.7561E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2460E-01 + 2 | 5.5396E-06 + 3 | 3.7561E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.004687951 seconds. + +--------------------------------------------+ + Sweep number 3 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.025550533 seconds. + +--------------------------------------------+ + Sweep number 3 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.050740009 seconds. + +--------------------------------------------+ + Sweep number 3 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1026E-01 + 2 | 5.3933E-06 + 3 | 4.6189E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.062052325 seconds. + +--------------------------------------------+ + Sweep number 3 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1026E-01 + 2 | 5.3933E-06 + 3 | 4.6189E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201216 201216 +Sweep has been running for 0.064109856 seconds. + +--------------------------------------------+ + Sweep number 4 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1026E-01 + 2 | 5.3933E-06 + 3 | 4.6189E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1026E-01 + 2 | 5.3933E-06 + 3 | 4.6189E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.067512171 seconds. + +--------------------------------------------+ + Sweep number 4 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.085971382 seconds. + +--------------------------------------------+ + Sweep number 4 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.110601733 seconds. + +--------------------------------------------+ + Sweep number 4 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2295E-01 + 2 | 5.0456E-06 + 3 | 3.0898E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.123744741 seconds. + +--------------------------------------------+ + Sweep number 4 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2295E-01 + 2 | 5.0456E-06 + 3 | 3.0898E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201216 201216 +Sweep has been running for 0.126410249 seconds. + +--------------------------------------------+ + Sweep number 5 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2295E-01 + 2 | 5.0456E-06 + 3 | 3.0898E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2295E-01 + 2 | 5.0456E-06 + 3 | 3.0898E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.004837617 seconds. + +--------------------------------------------+ + Sweep number 5 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.027656021 seconds. + +--------------------------------------------+ + Sweep number 5 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.055544532 seconds. + +--------------------------------------------+ + Sweep number 5 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1036E-01 + 2 | 5.6133E-06 + 3 | 5.1423E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.066938909 seconds. + +--------------------------------------------+ + Sweep number 5 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1036E-01 + 2 | 5.6133E-06 + 3 | 5.1423E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201216 201216 +Sweep has been running for 0.0690255 seconds. + +--------------------------------------------+ + Sweep number 6 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1036E-01 + 2 | 5.6133E-06 + 3 | 5.1423E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1036E-01 + 2 | 5.6133E-06 + 3 | 5.1423E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.072595846 seconds. + +--------------------------------------------+ + Sweep number 6 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.092177733 seconds. + +--------------------------------------------+ + Sweep number 6 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.116783134 seconds. + +--------------------------------------------+ + Sweep number 6 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2219E-01 + 2 | 4.8288E-06 + 3 | 2.7356E-11 ++------------+------------+ +Memory usage : 201216 201216 +Sweep has been running for 0.130025603 seconds. + +--------------------------------------------+ + Sweep number 6 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2219E-01 + 2 | 4.8288E-06 + 3 | 2.7356E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201216 201216 +Sweep has been running for 0.132563426 seconds. + +--------------------------------------------+ + Sweep number 7 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2219E-01 + 2 | 4.8288E-06 + 3 | 2.7356E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2219E-01 + 2 | 4.8288E-06 + 3 | 2.7356E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004520633 seconds. + +--------------------------------------------+ + Sweep number 7 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024107982 seconds. + +--------------------------------------------+ + Sweep number 7 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048831168 seconds. + +--------------------------------------------+ + Sweep number 7 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1064E-01 + 2 | 5.8038E-06 + 3 | 5.6167E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059794589 seconds. + +--------------------------------------------+ + Sweep number 7 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1064E-01 + 2 | 5.8038E-06 + 3 | 5.6167E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061837924 seconds. + +--------------------------------------------+ + Sweep number 8 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1064E-01 + 2 | 5.8038E-06 + 3 | 5.6167E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1064E-01 + 2 | 5.8038E-06 + 3 | 5.6167E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065255585 seconds. + +--------------------------------------------+ + Sweep number 8 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.083395853 seconds. + +--------------------------------------------+ + Sweep number 8 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.107518843 seconds. + +--------------------------------------------+ + Sweep number 8 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2174E-01 + 2 | 4.7248E-06 + 3 | 2.5597E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.120347488 seconds. + +--------------------------------------------+ + Sweep number 8 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2174E-01 + 2 | 4.7248E-06 + 3 | 2.5597E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.122872293 seconds. + +--------------------------------------------+ + Sweep number 9 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2174E-01 + 2 | 4.7248E-06 + 3 | 2.5597E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2174E-01 + 2 | 4.7248E-06 + 3 | 2.5597E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004428088 seconds. + +--------------------------------------------+ + Sweep number 9 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023863711 seconds. + +--------------------------------------------+ + Sweep number 9 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048690259 seconds. + +--------------------------------------------+ + Sweep number 9 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1093E-01 + 2 | 5.9500E-06 + 3 | 5.9807E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059605256 seconds. + +--------------------------------------------+ + Sweep number 9 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1093E-01 + 2 | 5.9500E-06 + 3 | 5.9807E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.06165226 seconds. + +--------------------------------------------+ + Sweep number 10 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1093E-01 + 2 | 5.9500E-06 + 3 | 5.9807E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1093E-01 + 2 | 5.9500E-06 + 3 | 5.9807E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065080245 seconds. + +--------------------------------------------+ + Sweep number 10 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.083354256 seconds. + +--------------------------------------------+ + Sweep number 10 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.107647171 seconds. + +--------------------------------------------+ + Sweep number 10 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2142E-01 + 2 | 4.6712E-06 + 3 | 2.4721E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.120459553 seconds. + +--------------------------------------------+ + Sweep number 10 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2142E-01 + 2 | 4.6712E-06 + 3 | 2.4721E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.122952685 seconds. + +--------------------------------------------+ + Sweep number 11 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2142E-01 + 2 | 4.6712E-06 + 3 | 2.4721E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2142E-01 + 2 | 4.6712E-06 + 3 | 2.4721E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004423056 seconds. + +--------------------------------------------+ + Sweep number 11 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.02424472 seconds. + +--------------------------------------------+ + Sweep number 11 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049795137 seconds. + +--------------------------------------------+ + Sweep number 11 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1114E-01 + 2 | 6.0552E-06 + 3 | 6.2398E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.061026985 seconds. + +--------------------------------------------+ + Sweep number 11 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1114E-01 + 2 | 6.0552E-06 + 3 | 6.2398E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.063156637 seconds. + +--------------------------------------------+ + Sweep number 12 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1114E-01 + 2 | 6.0552E-06 + 3 | 6.2398E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1114E-01 + 2 | 6.0552E-06 + 3 | 6.2398E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.066696582 seconds. + +--------------------------------------------+ + Sweep number 12 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.085172267 seconds. + +--------------------------------------------+ + Sweep number 12 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.109836981 seconds. + +--------------------------------------------+ + Sweep number 12 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2116E-01 + 2 | 4.6430E-06 + 3 | 2.4317E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.123042363 seconds. + +--------------------------------------------+ + Sweep number 12 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2116E-01 + 2 | 4.6430E-06 + 3 | 2.4317E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.1256388 seconds. + +--------------------------------------------+ + Sweep number 13 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2116E-01 + 2 | 4.6430E-06 + 3 | 2.4317E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2116E-01 + 2 | 4.6430E-06 + 3 | 2.4317E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004409796 seconds. + +--------------------------------------------+ + Sweep number 13 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.025313607 seconds. + +--------------------------------------------+ + Sweep number 13 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.051413059 seconds. + +--------------------------------------------+ + Sweep number 13 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.1286E-06 + 3 | 6.4200E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.062434389 seconds. + +--------------------------------------------+ + Sweep number 13 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.1286E-06 + 3 | 6.4200E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.064488335 seconds. + +--------------------------------------------+ + Sweep number 14 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.1286E-06 + 3 | 6.4200E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.1286E-06 + 3 | 6.4200E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.068040285 seconds. + +--------------------------------------------+ + Sweep number 14 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.086365336 seconds. + +--------------------------------------------+ + Sweep number 14 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.110582324 seconds. + +--------------------------------------------+ + Sweep number 14 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2094E-01 + 2 | 4.6289E-06 + 3 | 2.4187E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.123505072 seconds. + +--------------------------------------------+ + Sweep number 14 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2094E-01 + 2 | 4.6289E-06 + 3 | 2.4187E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.126010786 seconds. + +--------------------------------------------+ + Sweep number 15 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2094E-01 + 2 | 4.6289E-06 + 3 | 2.4187E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2094E-01 + 2 | 4.6289E-06 + 3 | 2.4187E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004377723 seconds. + +--------------------------------------------+ + Sweep number 15 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023885287 seconds. + +--------------------------------------------+ + Sweep number 15 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048943005 seconds. + +--------------------------------------------+ + Sweep number 15 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.1787E-06 + 3 | 6.5461E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.061341417 seconds. + +--------------------------------------------+ + Sweep number 15 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.1787E-06 + 3 | 6.5461E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.063362784 seconds. + +--------------------------------------------+ + Sweep number 16 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.1787E-06 + 3 | 6.5461E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1131E-01 + 2 | 6.1787E-06 + 3 | 6.5461E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.06683369 seconds. + +--------------------------------------------+ + Sweep number 16 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.0850937 seconds. + +--------------------------------------------+ + Sweep number 16 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.111463339 seconds. + +--------------------------------------------+ + Sweep number 16 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2073E-01 + 2 | 4.6228E-06 + 3 | 2.4228E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.127092251 seconds. + +--------------------------------------------+ + Sweep number 16 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2073E-01 + 2 | 4.6228E-06 + 3 | 2.4228E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.130633257 seconds. + +--------------------------------------------+ + Sweep number 17 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2073E-01 + 2 | 4.6228E-06 + 3 | 2.4228E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2073E-01 + 2 | 4.6228E-06 + 3 | 2.4228E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004716965 seconds. + +--------------------------------------------+ + Sweep number 17 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024574714 seconds. + +--------------------------------------------+ + Sweep number 17 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.054284939 seconds. + +--------------------------------------------+ + Sweep number 17 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.2119E-06 + 3 | 6.6360E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.067049227 seconds. + +--------------------------------------------+ + Sweep number 17 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.2119E-06 + 3 | 6.6360E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.069585502 seconds. + +--------------------------------------------+ + Sweep number 18 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.2119E-06 + 3 | 6.6360E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1127E-01 + 2 | 6.2119E-06 + 3 | 6.6360E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.073361115 seconds. + +--------------------------------------------+ + Sweep number 18 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.093776253 seconds. + +--------------------------------------------+ + Sweep number 18 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.12060163 seconds. + +--------------------------------------------+ + Sweep number 18 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2053E-01 + 2 | 4.6216E-06 + 3 | 2.4382E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.134844694 seconds. + +--------------------------------------------+ + Sweep number 18 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2053E-01 + 2 | 4.6216E-06 + 3 | 2.4382E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.137665014 seconds. + +--------------------------------------------+ + Sweep number 19 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2053E-01 + 2 | 4.6216E-06 + 3 | 2.4382E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2053E-01 + 2 | 4.6216E-06 + 3 | 2.4382E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004525311 seconds. + +--------------------------------------------+ + Sweep number 19 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024917605 seconds. + +--------------------------------------------+ + Sweep number 19 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049922185 seconds. + +--------------------------------------------+ + Sweep number 19 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1116E-01 + 2 | 6.2329E-06 + 3 | 6.7016E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.061013993 seconds. + +--------------------------------------------+ + Sweep number 19 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1116E-01 + 2 | 6.2329E-06 + 3 | 6.7016E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.063139312 seconds. + +--------------------------------------------+ + Sweep number 20 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1116E-01 + 2 | 6.2329E-06 + 3 | 6.7016E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1116E-01 + 2 | 6.2329E-06 + 3 | 6.7016E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.066983153 seconds. + +--------------------------------------------+ + Sweep number 20 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.085705157 seconds. + +--------------------------------------------+ + Sweep number 20 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.110647491 seconds. + +--------------------------------------------+ + Sweep number 20 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2033E-01 + 2 | 4.6234E-06 + 3 | 2.4615E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.124077355 seconds. + +--------------------------------------------+ + Sweep number 20 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2033E-01 + 2 | 4.6234E-06 + 3 | 2.4615E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.126580685 seconds. + +--------------------------------------------+ + Sweep number 21 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2033E-01 + 2 | 4.6234E-06 + 3 | 2.4615E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2033E-01 + 2 | 4.6234E-06 + 3 | 2.4615E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004360028 seconds. + +--------------------------------------------+ + Sweep number 21 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023529373 seconds. + +--------------------------------------------+ + Sweep number 21 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.055021767 seconds. + +--------------------------------------------+ + Sweep number 21 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 6.2449E-06 + 3 | 6.7507E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.069355229 seconds. + +--------------------------------------------+ + Sweep number 21 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 6.2449E-06 + 3 | 6.7507E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.071494873 seconds. + +--------------------------------------------+ + Sweep number 22 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 6.2449E-06 + 3 | 6.7507E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1099E-01 + 2 | 6.2449E-06 + 3 | 6.7507E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.074885724 seconds. + +--------------------------------------------+ + Sweep number 22 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.094945156 seconds. + +--------------------------------------------+ + Sweep number 22 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.119316646 seconds. + +--------------------------------------------+ + Sweep number 22 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2013E-01 + 2 | 4.6268E-06 + 3 | 2.4905E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.132290429 seconds. + +--------------------------------------------+ + Sweep number 22 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2013E-01 + 2 | 4.6268E-06 + 3 | 2.4905E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.134779494 seconds. + +--------------------------------------------+ + Sweep number 23 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2013E-01 + 2 | 4.6268E-06 + 3 | 2.4905E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.2013E-01 + 2 | 4.6268E-06 + 3 | 2.4905E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004318924 seconds. + +--------------------------------------------+ + Sweep number 23 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.02343388 seconds. + +--------------------------------------------+ + Sweep number 23 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048282806 seconds. + +--------------------------------------------+ + Sweep number 23 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1077E-01 + 2 | 6.2499E-06 + 3 | 6.7884E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059173325 seconds. + +--------------------------------------------+ + Sweep number 23 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1077E-01 + 2 | 6.2499E-06 + 3 | 6.7884E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061265203 seconds. + +--------------------------------------------+ + Sweep number 24 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1077E-01 + 2 | 6.2499E-06 + 3 | 6.7884E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1077E-01 + 2 | 6.2499E-06 + 3 | 6.7884E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.064637221 seconds. + +--------------------------------------------+ + Sweep number 24 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.083441913 seconds. + +--------------------------------------------+ + Sweep number 24 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.107895937 seconds. + +--------------------------------------------+ + Sweep number 24 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1992E-01 + 2 | 4.6313E-06 + 3 | 2.5235E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.120829523 seconds. + +--------------------------------------------+ + Sweep number 24 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1992E-01 + 2 | 4.6313E-06 + 3 | 2.5235E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.123354438 seconds. + +--------------------------------------------+ + Sweep number 25 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1992E-01 + 2 | 4.6313E-06 + 3 | 2.5235E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1992E-01 + 2 | 4.6313E-06 + 3 | 2.5235E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004417477 seconds. + +--------------------------------------------+ + Sweep number 25 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023950417 seconds. + +--------------------------------------------+ + Sweep number 25 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048916622 seconds. + +--------------------------------------------+ + Sweep number 25 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1051E-01 + 2 | 6.2496E-06 + 3 | 6.8180E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059861184 seconds. + +--------------------------------------------+ + Sweep number 25 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1051E-01 + 2 | 6.2496E-06 + 3 | 6.8180E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061909913 seconds. + +--------------------------------------------+ + Sweep number 26 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1051E-01 + 2 | 6.2496E-06 + 3 | 6.8180E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1051E-01 + 2 | 6.2496E-06 + 3 | 6.8180E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065285551 seconds. + +--------------------------------------------+ + Sweep number 26 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.08356114 seconds. + +--------------------------------------------+ + Sweep number 26 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.107659155 seconds. + +--------------------------------------------+ + Sweep number 26 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1971E-01 + 2 | 4.6363E-06 + 3 | 2.5595E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.120448894 seconds. + +--------------------------------------------+ + Sweep number 26 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1971E-01 + 2 | 4.6363E-06 + 3 | 2.5595E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.122999103 seconds. + +--------------------------------------------+ + Sweep number 27 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1971E-01 + 2 | 4.6363E-06 + 3 | 2.5595E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1971E-01 + 2 | 4.6363E-06 + 3 | 2.5595E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004398118 seconds. + +--------------------------------------------+ + Sweep number 27 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024042632 seconds. + +--------------------------------------------+ + Sweep number 27 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049373268 seconds. + +--------------------------------------------+ + Sweep number 27 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1021E-01 + 2 | 6.2451E-06 + 3 | 6.8419E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.060410085 seconds. + +--------------------------------------------+ + Sweep number 27 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1021E-01 + 2 | 6.2451E-06 + 3 | 6.8419E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.062465361 seconds. + +--------------------------------------------+ + Sweep number 28 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1021E-01 + 2 | 6.2451E-06 + 3 | 6.8419E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1021E-01 + 2 | 6.2451E-06 + 3 | 6.8419E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065993387 seconds. + +--------------------------------------------+ + Sweep number 28 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.08592416 seconds. + +--------------------------------------------+ + Sweep number 28 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.110370752 seconds. + +--------------------------------------------+ + Sweep number 28 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1950E-01 + 2 | 4.6415E-06 + 3 | 2.5975E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.123302142 seconds. + +--------------------------------------------+ + Sweep number 28 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1950E-01 + 2 | 4.6415E-06 + 3 | 2.5975E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.125852743 seconds. + +--------------------------------------------+ + Sweep number 29 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1950E-01 + 2 | 4.6415E-06 + 3 | 2.5975E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1950E-01 + 2 | 4.6415E-06 + 3 | 2.5975E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004731556 seconds. + +--------------------------------------------+ + Sweep number 29 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024243117 seconds. + +--------------------------------------------+ + Sweep number 29 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049625494 seconds. + +--------------------------------------------+ + Sweep number 29 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0988E-01 + 2 | 6.2372E-06 + 3 | 6.8616E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.061179949 seconds. + +--------------------------------------------+ + Sweep number 29 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0988E-01 + 2 | 6.2372E-06 + 3 | 6.8616E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.063261691 seconds. + +--------------------------------------------+ + Sweep number 30 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0988E-01 + 2 | 6.2372E-06 + 3 | 6.8616E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0988E-01 + 2 | 6.2372E-06 + 3 | 6.8616E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.066747475 seconds. + +--------------------------------------------+ + Sweep number 30 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.085929215 seconds. + +--------------------------------------------+ + Sweep number 30 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.114628356 seconds. + +--------------------------------------------+ + Sweep number 30 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1928E-01 + 2 | 4.6467E-06 + 3 | 2.6369E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.13002131 seconds. + +--------------------------------------------+ + Sweep number 30 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1928E-01 + 2 | 4.6467E-06 + 3 | 2.6369E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.132940347 seconds. + +--------------------------------------------+ + Sweep number 31 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1928E-01 + 2 | 4.6467E-06 + 3 | 2.6369E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1928E-01 + 2 | 4.6467E-06 + 3 | 2.6369E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004331122 seconds. + +--------------------------------------------+ + Sweep number 31 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023649346 seconds. + +--------------------------------------------+ + Sweep number 31 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049745084 seconds. + +--------------------------------------------+ + Sweep number 31 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0952E-01 + 2 | 6.2265E-06 + 3 | 6.8781E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.063270828 seconds. + +--------------------------------------------+ + Sweep number 31 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0952E-01 + 2 | 6.2265E-06 + 3 | 6.8781E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.065683988 seconds. + +--------------------------------------------+ + Sweep number 32 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0952E-01 + 2 | 6.2265E-06 + 3 | 6.8781E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0952E-01 + 2 | 6.2265E-06 + 3 | 6.8781E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.069615402 seconds. + +--------------------------------------------+ + Sweep number 32 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.091415446 seconds. + +--------------------------------------------+ + Sweep number 32 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.119338747 seconds. + +--------------------------------------------+ + Sweep number 32 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1906E-01 + 2 | 4.6517E-06 + 3 | 2.6771E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.132296254 seconds. + +--------------------------------------------+ + Sweep number 32 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1906E-01 + 2 | 4.6517E-06 + 3 | 2.6771E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.135101815 seconds. + +--------------------------------------------+ + Sweep number 33 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1906E-01 + 2 | 4.6517E-06 + 3 | 2.6771E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1906E-01 + 2 | 4.6517E-06 + 3 | 2.6771E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004358719 seconds. + +--------------------------------------------+ + Sweep number 33 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.025216664 seconds. + +--------------------------------------------+ + Sweep number 33 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.050895754 seconds. + +--------------------------------------------+ + Sweep number 33 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0913E-01 + 2 | 6.2136E-06 + 3 | 6.8923E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.06196625 seconds. + +--------------------------------------------+ + Sweep number 33 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0913E-01 + 2 | 6.2136E-06 + 3 | 6.8923E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.064021284 seconds. + +--------------------------------------------+ + Sweep number 34 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0913E-01 + 2 | 6.2136E-06 + 3 | 6.8923E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0913E-01 + 2 | 6.2136E-06 + 3 | 6.8923E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.067397653 seconds. + +--------------------------------------------+ + Sweep number 34 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.086250744 seconds. + +--------------------------------------------+ + Sweep number 34 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.110623307 seconds. + +--------------------------------------------+ + Sweep number 34 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1883E-01 + 2 | 4.6566E-06 + 3 | 2.7175E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.123766573 seconds. + +--------------------------------------------+ + Sweep number 34 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1883E-01 + 2 | 4.6566E-06 + 3 | 2.7175E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.12626997 seconds. + +--------------------------------------------+ + Sweep number 35 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1883E-01 + 2 | 4.6566E-06 + 3 | 2.7175E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1883E-01 + 2 | 4.6566E-06 + 3 | 2.7175E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004512864 seconds. + +--------------------------------------------+ + Sweep number 35 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024645751 seconds. + +--------------------------------------------+ + Sweep number 35 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.056941511 seconds. + +--------------------------------------------+ + Sweep number 35 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0872E-01 + 2 | 6.1987E-06 + 3 | 6.9047E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.07116417 seconds. + +--------------------------------------------+ + Sweep number 35 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0872E-01 + 2 | 6.1987E-06 + 3 | 6.9047E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.074101738 seconds. + +--------------------------------------------+ + Sweep number 36 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0872E-01 + 2 | 6.1987E-06 + 3 | 6.9047E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0872E-01 + 2 | 6.1987E-06 + 3 | 6.9047E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.077968406 seconds. + +--------------------------------------------+ + Sweep number 36 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.09837514 seconds. + +--------------------------------------------+ + Sweep number 36 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.126561563 seconds. + +--------------------------------------------+ + Sweep number 36 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1860E-01 + 2 | 4.6611E-06 + 3 | 2.7579E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.140375079 seconds. + +--------------------------------------------+ + Sweep number 36 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1860E-01 + 2 | 4.6611E-06 + 3 | 2.7579E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.143070731 seconds. + +--------------------------------------------+ + Sweep number 37 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1860E-01 + 2 | 4.6611E-06 + 3 | 2.7579E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1860E-01 + 2 | 4.6611E-06 + 3 | 2.7579E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.00452204 seconds. + +--------------------------------------------+ + Sweep number 37 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023798153 seconds. + +--------------------------------------------+ + Sweep number 37 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049112997 seconds. + +--------------------------------------------+ + Sweep number 37 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0829E-01 + 2 | 6.1822E-06 + 3 | 6.9156E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.060877202 seconds. + +--------------------------------------------+ + Sweep number 37 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0829E-01 + 2 | 6.1822E-06 + 3 | 6.9156E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.063063414 seconds. + +--------------------------------------------+ + Sweep number 38 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0829E-01 + 2 | 6.1822E-06 + 3 | 6.9156E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0829E-01 + 2 | 6.1822E-06 + 3 | 6.9156E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.06698801 seconds. + +--------------------------------------------+ + Sweep number 38 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.086175361 seconds. + +--------------------------------------------+ + Sweep number 38 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.111195942 seconds. + +--------------------------------------------+ + Sweep number 38 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1836E-01 + 2 | 4.6654E-06 + 3 | 2.7980E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.124050389 seconds. + +--------------------------------------------+ + Sweep number 38 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1836E-01 + 2 | 4.6654E-06 + 3 | 2.7980E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.126566004 seconds. + +--------------------------------------------+ + Sweep number 39 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1836E-01 + 2 | 4.6654E-06 + 3 | 2.7980E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1836E-01 + 2 | 4.6654E-06 + 3 | 2.7980E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.005211615 seconds. + +--------------------------------------------+ + Sweep number 39 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.025210272 seconds. + +--------------------------------------------+ + Sweep number 39 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.052020175 seconds. + +--------------------------------------------+ + Sweep number 39 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0784E-01 + 2 | 6.1644E-06 + 3 | 6.9255E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.063710318 seconds. + +--------------------------------------------+ + Sweep number 39 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0784E-01 + 2 | 6.1644E-06 + 3 | 6.9255E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.065817557 seconds. + +--------------------------------------------+ + Sweep number 40 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0784E-01 + 2 | 6.1644E-06 + 3 | 6.9255E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0784E-01 + 2 | 6.1644E-06 + 3 | 6.9255E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.070015824 seconds. + +--------------------------------------------+ + Sweep number 40 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.088910105 seconds. + +--------------------------------------------+ + Sweep number 40 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.114262235 seconds. + +--------------------------------------------+ + Sweep number 40 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1811E-01 + 2 | 4.6693E-06 + 3 | 2.8375E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.12755644 seconds. + +--------------------------------------------+ + Sweep number 40 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1811E-01 + 2 | 4.6693E-06 + 3 | 2.8375E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.130324379 seconds. + +--------------------------------------------+ + Sweep number 41 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1811E-01 + 2 | 4.6693E-06 + 3 | 2.8375E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1811E-01 + 2 | 4.6693E-06 + 3 | 2.8375E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004547038 seconds. + +--------------------------------------------+ + Sweep number 41 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.025004033 seconds. + +--------------------------------------------+ + Sweep number 41 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.050751365 seconds. + +--------------------------------------------+ + Sweep number 41 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0738E-01 + 2 | 6.1455E-06 + 3 | 6.9344E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.06276213 seconds. + +--------------------------------------------+ + Sweep number 41 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0738E-01 + 2 | 6.1455E-06 + 3 | 6.9344E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.0648712 seconds. + +--------------------------------------------+ + Sweep number 42 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0738E-01 + 2 | 6.1455E-06 + 3 | 6.9344E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0738E-01 + 2 | 6.1455E-06 + 3 | 6.9344E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.068425942 seconds. + +--------------------------------------------+ + Sweep number 42 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.087921671 seconds. + +--------------------------------------------+ + Sweep number 42 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.112913851 seconds. + +--------------------------------------------+ + Sweep number 42 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1786E-01 + 2 | 4.6730E-06 + 3 | 2.8762E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.130581284 seconds. + +--------------------------------------------+ + Sweep number 42 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1786E-01 + 2 | 4.6730E-06 + 3 | 2.8762E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.134467222 seconds. + +--------------------------------------------+ + Sweep number 43 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1786E-01 + 2 | 4.6730E-06 + 3 | 2.8762E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1786E-01 + 2 | 4.6730E-06 + 3 | 2.8762E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004604019 seconds. + +--------------------------------------------+ + Sweep number 43 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.025374462 seconds. + +--------------------------------------------+ + Sweep number 43 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.052014867 seconds. + +--------------------------------------------+ + Sweep number 43 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0691E-01 + 2 | 6.1256E-06 + 3 | 6.9427E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.063096412 seconds. + +--------------------------------------------+ + Sweep number 43 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0691E-01 + 2 | 6.1256E-06 + 3 | 6.9427E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.065158291 seconds. + +--------------------------------------------+ + Sweep number 44 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0691E-01 + 2 | 6.1256E-06 + 3 | 6.9427E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0691E-01 + 2 | 6.1256E-06 + 3 | 6.9427E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.068551281 seconds. + +--------------------------------------------+ + Sweep number 44 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.087137556 seconds. + +--------------------------------------------+ + Sweep number 44 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.111198935 seconds. + +--------------------------------------------+ + Sweep number 44 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1761E-01 + 2 | 4.6764E-06 + 3 | 2.9141E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.124084711 seconds. + +--------------------------------------------+ + Sweep number 44 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1761E-01 + 2 | 4.6764E-06 + 3 | 2.9141E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.126623142 seconds. + +--------------------------------------------+ + Sweep number 45 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1761E-01 + 2 | 4.6764E-06 + 3 | 2.9141E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1761E-01 + 2 | 4.6764E-06 + 3 | 2.9141E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004292423 seconds. + +--------------------------------------------+ + Sweep number 45 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023397238 seconds. + +--------------------------------------------+ + Sweep number 45 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048582739 seconds. + +--------------------------------------------+ + Sweep number 45 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0642E-01 + 2 | 6.1050E-06 + 3 | 6.9503E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059445916 seconds. + +--------------------------------------------+ + Sweep number 45 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0642E-01 + 2 | 6.1050E-06 + 3 | 6.9503E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061589735 seconds. + +--------------------------------------------+ + Sweep number 46 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0642E-01 + 2 | 6.1050E-06 + 3 | 6.9503E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0642E-01 + 2 | 6.1050E-06 + 3 | 6.9503E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065410264 seconds. + +--------------------------------------------+ + Sweep number 46 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.083767794 seconds. + +--------------------------------------------+ + Sweep number 46 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.108887121 seconds. + +--------------------------------------------+ + Sweep number 46 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1735E-01 + 2 | 4.6795E-06 + 3 | 2.9510E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.12197944 seconds. + +--------------------------------------------+ + Sweep number 46 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1735E-01 + 2 | 4.6795E-06 + 3 | 2.9510E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.124448154 seconds. + +--------------------------------------------+ + Sweep number 47 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1735E-01 + 2 | 4.6795E-06 + 3 | 2.9510E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1735E-01 + 2 | 4.6795E-06 + 3 | 2.9510E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004445445 seconds. + +--------------------------------------------+ + Sweep number 47 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023611384 seconds. + +--------------------------------------------+ + Sweep number 47 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048799981 seconds. + +--------------------------------------------+ + Sweep number 47 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0593E-01 + 2 | 6.0837E-06 + 3 | 6.9573E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.05996991 seconds. + +--------------------------------------------+ + Sweep number 47 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0593E-01 + 2 | 6.0837E-06 + 3 | 6.9573E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.062019956 seconds. + +--------------------------------------------+ + Sweep number 48 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0593E-01 + 2 | 6.0837E-06 + 3 | 6.9573E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0593E-01 + 2 | 6.0837E-06 + 3 | 6.9573E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065389515 seconds. + +--------------------------------------------+ + Sweep number 48 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.084108687 seconds. + +--------------------------------------------+ + Sweep number 48 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.108161526 seconds. + +--------------------------------------------+ + Sweep number 48 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1709E-01 + 2 | 4.6823E-06 + 3 | 2.9870E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.12098574 seconds. + +--------------------------------------------+ + Sweep number 48 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1709E-01 + 2 | 4.6823E-06 + 3 | 2.9870E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.123462345 seconds. + +--------------------------------------------+ + Sweep number 49 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1709E-01 + 2 | 4.6823E-06 + 3 | 2.9870E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1709E-01 + 2 | 4.6823E-06 + 3 | 2.9870E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004413412 seconds. + +--------------------------------------------+ + Sweep number 49 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024269067 seconds. + +--------------------------------------------+ + Sweep number 49 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049498555 seconds. + +--------------------------------------------+ + Sweep number 49 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0544E-01 + 2 | 6.0619E-06 + 3 | 6.9638E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.060533352 seconds. + +--------------------------------------------+ + Sweep number 49 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0544E-01 + 2 | 6.0619E-06 + 3 | 6.9638E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.062587091 seconds. + +--------------------------------------------+ + Sweep number 50 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0544E-01 + 2 | 6.0619E-06 + 3 | 6.9638E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0544E-01 + 2 | 6.0619E-06 + 3 | 6.9638E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065977067 seconds. + +--------------------------------------------+ + Sweep number 50 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.0845914 seconds. + +--------------------------------------------+ + Sweep number 50 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.10887786 seconds. + +--------------------------------------------+ + Sweep number 50 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1683E-01 + 2 | 4.6850E-06 + 3 | 3.0220E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.121723226 seconds. + +--------------------------------------------+ + Sweep number 50 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1683E-01 + 2 | 4.6850E-06 + 3 | 3.0220E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.124267091 seconds. + +--------------------------------------------+ + Sweep number 51 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1683E-01 + 2 | 4.6850E-06 + 3 | 3.0220E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1683E-01 + 2 | 4.6850E-06 + 3 | 3.0220E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004449088 seconds. + +--------------------------------------------+ + Sweep number 51 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023617819 seconds. + +--------------------------------------------+ + Sweep number 51 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049504551 seconds. + +--------------------------------------------+ + Sweep number 51 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0493E-01 + 2 | 6.0397E-06 + 3 | 6.9699E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.060377632 seconds. + +--------------------------------------------+ + Sweep number 51 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0493E-01 + 2 | 6.0397E-06 + 3 | 6.9699E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.062465616 seconds. + +--------------------------------------------+ + Sweep number 52 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0493E-01 + 2 | 6.0397E-06 + 3 | 6.9699E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0493E-01 + 2 | 6.0397E-06 + 3 | 6.9699E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.066317937 seconds. + +--------------------------------------------+ + Sweep number 52 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.085000558 seconds. + +--------------------------------------------+ + Sweep number 52 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.11006271 seconds. + +--------------------------------------------+ + Sweep number 52 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1657E-01 + 2 | 4.6874E-06 + 3 | 3.0560E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.122963964 seconds. + +--------------------------------------------+ + Sweep number 52 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1657E-01 + 2 | 4.6874E-06 + 3 | 3.0560E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.125574344 seconds. + +--------------------------------------------+ + Sweep number 53 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1657E-01 + 2 | 4.6874E-06 + 3 | 3.0560E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1657E-01 + 2 | 4.6874E-06 + 3 | 3.0560E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004286727 seconds. + +--------------------------------------------+ + Sweep number 53 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.02373589 seconds. + +--------------------------------------------+ + Sweep number 53 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048573451 seconds. + +--------------------------------------------+ + Sweep number 53 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0443E-01 + 2 | 6.0173E-06 + 3 | 6.9754E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059589688 seconds. + +--------------------------------------------+ + Sweep number 53 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0443E-01 + 2 | 6.0173E-06 + 3 | 6.9754E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061632082 seconds. + +--------------------------------------------+ + Sweep number 54 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0443E-01 + 2 | 6.0173E-06 + 3 | 6.9754E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0443E-01 + 2 | 6.0173E-06 + 3 | 6.9754E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.06500657 seconds. + +--------------------------------------------+ + Sweep number 54 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.083173357 seconds. + +--------------------------------------------+ + Sweep number 54 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.107124917 seconds. + +--------------------------------------------+ + Sweep number 54 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1631E-01 + 2 | 4.6897E-06 + 3 | 3.0889E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.119967951 seconds. + +--------------------------------------------+ + Sweep number 54 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1631E-01 + 2 | 4.6897E-06 + 3 | 3.0889E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.122437154 seconds. + +--------------------------------------------+ + Sweep number 55 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1631E-01 + 2 | 4.6897E-06 + 3 | 3.0889E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1631E-01 + 2 | 4.6897E-06 + 3 | 3.0889E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.008012908 seconds. + +--------------------------------------------+ + Sweep number 55 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.034011409 seconds. + +--------------------------------------------+ + Sweep number 55 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.058825157 seconds. + +--------------------------------------------+ + Sweep number 55 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0392E-01 + 2 | 5.9946E-06 + 3 | 6.9806E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.070416123 seconds. + +--------------------------------------------+ + Sweep number 55 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0392E-01 + 2 | 5.9946E-06 + 3 | 6.9806E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.07256766 seconds. + +--------------------------------------------+ + Sweep number 56 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0392E-01 + 2 | 5.9946E-06 + 3 | 6.9806E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0392E-01 + 2 | 5.9946E-06 + 3 | 6.9806E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.075935853 seconds. + +--------------------------------------------+ + Sweep number 56 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.094486669 seconds. + +--------------------------------------------+ + Sweep number 56 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.118602596 seconds. + +--------------------------------------------+ + Sweep number 56 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1604E-01 + 2 | 4.6919E-06 + 3 | 3.1210E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.13150723 seconds. + +--------------------------------------------+ + Sweep number 56 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1604E-01 + 2 | 4.6919E-06 + 3 | 3.1210E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.133982543 seconds. + +--------------------------------------------+ + Sweep number 57 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1604E-01 + 2 | 4.6919E-06 + 3 | 3.1210E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1604E-01 + 2 | 4.6919E-06 + 3 | 3.1210E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004446445 seconds. + +--------------------------------------------+ + Sweep number 57 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023531931 seconds. + +--------------------------------------------+ + Sweep number 57 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048345083 seconds. + +--------------------------------------------+ + Sweep number 57 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0341E-01 + 2 | 5.9718E-06 + 3 | 6.9853E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.05928815 seconds. + +--------------------------------------------+ + Sweep number 57 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0341E-01 + 2 | 5.9718E-06 + 3 | 6.9853E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061396894 seconds. + +--------------------------------------------+ + Sweep number 58 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0341E-01 + 2 | 5.9718E-06 + 3 | 6.9853E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0341E-01 + 2 | 5.9718E-06 + 3 | 6.9853E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.064773829 seconds. + +--------------------------------------------+ + Sweep number 58 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.082845115 seconds. + +--------------------------------------------+ + Sweep number 58 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.106849411 seconds. + +--------------------------------------------+ + Sweep number 58 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1578E-01 + 2 | 4.6939E-06 + 3 | 3.1521E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.12023931 seconds. + +--------------------------------------------+ + Sweep number 58 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1578E-01 + 2 | 4.6939E-06 + 3 | 3.1521E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.122771599 seconds. + +--------------------------------------------+ + Sweep number 59 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1578E-01 + 2 | 4.6939E-06 + 3 | 3.1521E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1578E-01 + 2 | 4.6939E-06 + 3 | 3.1521E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004325174 seconds. + +--------------------------------------------+ + Sweep number 59 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.026274402 seconds. + +--------------------------------------------+ + Sweep number 59 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.057710288 seconds. + +--------------------------------------------+ + Sweep number 59 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0291E-01 + 2 | 5.9489E-06 + 3 | 6.9895E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.07017299 seconds. + +--------------------------------------------+ + Sweep number 59 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0291E-01 + 2 | 5.9489E-06 + 3 | 6.9895E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.072805087 seconds. + +--------------------------------------------+ + Sweep number 60 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0291E-01 + 2 | 5.9489E-06 + 3 | 6.9895E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0291E-01 + 2 | 5.9489E-06 + 3 | 6.9895E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.07721579 seconds. + +--------------------------------------------+ + Sweep number 60 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.098768064 seconds. + +--------------------------------------------+ + Sweep number 60 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.12476043 seconds. + +--------------------------------------------+ + Sweep number 60 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1552E-01 + 2 | 4.6958E-06 + 3 | 3.1822E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.137621056 seconds. + +--------------------------------------------+ + Sweep number 60 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1552E-01 + 2 | 4.6958E-06 + 3 | 3.1822E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.140341412 seconds. + +--------------------------------------------+ + Sweep number 61 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1552E-01 + 2 | 4.6958E-06 + 3 | 3.1822E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1552E-01 + 2 | 4.6958E-06 + 3 | 3.1822E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004622355 seconds. + +--------------------------------------------+ + Sweep number 61 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.02471733 seconds. + +--------------------------------------------+ + Sweep number 61 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.050386437 seconds. + +--------------------------------------------+ + Sweep number 61 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0240E-01 + 2 | 5.9260E-06 + 3 | 6.9932E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.061336725 seconds. + +--------------------------------------------+ + Sweep number 61 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0240E-01 + 2 | 5.9260E-06 + 3 | 6.9932E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.063389601 seconds. + +--------------------------------------------+ + Sweep number 62 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0240E-01 + 2 | 5.9260E-06 + 3 | 6.9932E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0240E-01 + 2 | 5.9260E-06 + 3 | 6.9932E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.066775079 seconds. + +--------------------------------------------+ + Sweep number 62 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.085273713 seconds. + +--------------------------------------------+ + Sweep number 62 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.109883672 seconds. + +--------------------------------------------+ + Sweep number 62 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1526E-01 + 2 | 4.6977E-06 + 3 | 3.2115E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.122795475 seconds. + +--------------------------------------------+ + Sweep number 62 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1526E-01 + 2 | 4.6977E-06 + 3 | 3.2115E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.12529993 seconds. + +--------------------------------------------+ + Sweep number 63 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1526E-01 + 2 | 4.6977E-06 + 3 | 3.2115E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1526E-01 + 2 | 4.6977E-06 + 3 | 3.2115E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004407918 seconds. + +--------------------------------------------+ + Sweep number 63 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023433643 seconds. + +--------------------------------------------+ + Sweep number 63 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.047977745 seconds. + +--------------------------------------------+ + Sweep number 63 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0190E-01 + 2 | 5.9032E-06 + 3 | 6.9965E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.058921404 seconds. + +--------------------------------------------+ + Sweep number 63 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0190E-01 + 2 | 5.9032E-06 + 3 | 6.9965E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.060966767 seconds. + +--------------------------------------------+ + Sweep number 64 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0190E-01 + 2 | 5.9032E-06 + 3 | 6.9965E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0190E-01 + 2 | 5.9032E-06 + 3 | 6.9965E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.064386556 seconds. + +--------------------------------------------+ + Sweep number 64 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.083502452 seconds. + +--------------------------------------------+ + Sweep number 64 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.109556286 seconds. + +--------------------------------------------+ + Sweep number 64 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1501E-01 + 2 | 4.6995E-06 + 3 | 3.2400E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.123751348 seconds. + +--------------------------------------------+ + Sweep number 64 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1501E-01 + 2 | 4.6995E-06 + 3 | 3.2400E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.126317789 seconds. + +--------------------------------------------+ + Sweep number 65 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1501E-01 + 2 | 4.6995E-06 + 3 | 3.2400E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1501E-01 + 2 | 4.6995E-06 + 3 | 3.2400E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.005002902 seconds. + +--------------------------------------------+ + Sweep number 65 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024303643 seconds. + +--------------------------------------------+ + Sweep number 65 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048976941 seconds. + +--------------------------------------------+ + Sweep number 65 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0141E-01 + 2 | 5.8805E-06 + 3 | 6.9992E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.05990574 seconds. + +--------------------------------------------+ + Sweep number 65 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0141E-01 + 2 | 5.8805E-06 + 3 | 6.9992E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061963119 seconds. + +--------------------------------------------+ + Sweep number 66 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0141E-01 + 2 | 5.8805E-06 + 3 | 6.9992E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0141E-01 + 2 | 5.8805E-06 + 3 | 6.9992E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065483256 seconds. + +--------------------------------------------+ + Sweep number 66 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.085807865 seconds. + +--------------------------------------------+ + Sweep number 66 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.11067408 seconds. + +--------------------------------------------+ + Sweep number 66 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1476E-01 + 2 | 4.7012E-06 + 3 | 3.2677E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.123745435 seconds. + +--------------------------------------------+ + Sweep number 66 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1476E-01 + 2 | 4.7012E-06 + 3 | 3.2677E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.126284184 seconds. + +--------------------------------------------+ + Sweep number 67 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1476E-01 + 2 | 4.7012E-06 + 3 | 3.2677E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1476E-01 + 2 | 4.7012E-06 + 3 | 3.2677E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.008765399 seconds. + +--------------------------------------------+ + Sweep number 67 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.031279514 seconds. + +--------------------------------------------+ + Sweep number 67 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059628925 seconds. + +--------------------------------------------+ + Sweep number 67 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0091E-01 + 2 | 5.8580E-06 + 3 | 7.0014E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.072315298 seconds. + +--------------------------------------------+ + Sweep number 67 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0091E-01 + 2 | 5.8580E-06 + 3 | 7.0014E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.074877152 seconds. + +--------------------------------------------+ + Sweep number 68 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0091E-01 + 2 | 5.8580E-06 + 3 | 7.0014E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0091E-01 + 2 | 5.8580E-06 + 3 | 7.0014E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.078778439 seconds. + +--------------------------------------------+ + Sweep number 68 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.099784824 seconds. + +--------------------------------------------+ + Sweep number 68 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.126800182 seconds. + +--------------------------------------------+ + Sweep number 68 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1451E-01 + 2 | 4.7029E-06 + 3 | 3.2947E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.139863164 seconds. + +--------------------------------------------+ + Sweep number 68 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1451E-01 + 2 | 4.7029E-06 + 3 | 3.2947E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.142328845 seconds. + +--------------------------------------------+ + Sweep number 69 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1451E-01 + 2 | 4.7029E-06 + 3 | 3.2947E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1451E-01 + 2 | 4.7029E-06 + 3 | 3.2947E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004354502 seconds. + +--------------------------------------------+ + Sweep number 69 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024615242 seconds. + +--------------------------------------------+ + Sweep number 69 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049413721 seconds. + +--------------------------------------------+ + Sweep number 69 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0043E-01 + 2 | 5.8356E-06 + 3 | 7.0031E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.060375632 seconds. + +--------------------------------------------+ + Sweep number 69 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0043E-01 + 2 | 5.8356E-06 + 3 | 7.0031E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.062433325 seconds. + +--------------------------------------------+ + Sweep number 70 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0043E-01 + 2 | 5.8356E-06 + 3 | 7.0031E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.0043E-01 + 2 | 5.8356E-06 + 3 | 7.0031E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065809091 seconds. + +--------------------------------------------+ + Sweep number 70 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.08553499 seconds. + +--------------------------------------------+ + Sweep number 70 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.109754612 seconds. + +--------------------------------------------+ + Sweep number 70 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1426E-01 + 2 | 4.7046E-06 + 3 | 3.3209E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.122857378 seconds. + +--------------------------------------------+ + Sweep number 70 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1426E-01 + 2 | 4.7046E-06 + 3 | 3.3209E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.125355965 seconds. + +--------------------------------------------+ + Sweep number 71 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1426E-01 + 2 | 4.7046E-06 + 3 | 3.3209E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1426E-01 + 2 | 4.7046E-06 + 3 | 3.3209E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004413263 seconds. + +--------------------------------------------+ + Sweep number 71 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.02464373 seconds. + +--------------------------------------------+ + Sweep number 71 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.051172967 seconds. + +--------------------------------------------+ + Sweep number 71 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9995E-01 + 2 | 5.8135E-06 + 3 | 7.0043E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.062061779 seconds. + +--------------------------------------------+ + Sweep number 71 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9995E-01 + 2 | 5.8135E-06 + 3 | 7.0043E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.064111395 seconds. + +--------------------------------------------+ + Sweep number 72 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9995E-01 + 2 | 5.8135E-06 + 3 | 7.0043E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9995E-01 + 2 | 5.8135E-06 + 3 | 7.0043E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.067486159 seconds. + +--------------------------------------------+ + Sweep number 72 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.08650438 seconds. + +--------------------------------------------+ + Sweep number 72 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.112387375 seconds. + +--------------------------------------------+ + Sweep number 72 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1402E-01 + 2 | 4.7062E-06 + 3 | 3.3465E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.125540124 seconds. + +--------------------------------------------+ + Sweep number 72 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1402E-01 + 2 | 4.7062E-06 + 3 | 3.3465E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.128032528 seconds. + +--------------------------------------------+ + Sweep number 73 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1402E-01 + 2 | 4.7062E-06 + 3 | 3.3465E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1402E-01 + 2 | 4.7062E-06 + 3 | 3.3465E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004492891 seconds. + +--------------------------------------------+ + Sweep number 73 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024405184 seconds. + +--------------------------------------------+ + Sweep number 73 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.049126423 seconds. + +--------------------------------------------+ + Sweep number 73 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9948E-01 + 2 | 5.7916E-06 + 3 | 7.0049E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059991957 seconds. + +--------------------------------------------+ + Sweep number 73 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9948E-01 + 2 | 5.7916E-06 + 3 | 7.0049E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.062095024 seconds. + +--------------------------------------------+ + Sweep number 74 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9948E-01 + 2 | 5.7916E-06 + 3 | 7.0049E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9948E-01 + 2 | 5.7916E-06 + 3 | 7.0049E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065467821 seconds. + +--------------------------------------------+ + Sweep number 74 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.084111896 seconds. + +--------------------------------------------+ + Sweep number 74 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.10862275 seconds. + +--------------------------------------------+ + Sweep number 74 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1379E-01 + 2 | 4.7079E-06 + 3 | 3.3714E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.121455244 seconds. + +--------------------------------------------+ + Sweep number 74 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1379E-01 + 2 | 4.7079E-06 + 3 | 3.3714E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.123946158 seconds. + +--------------------------------------------+ + Sweep number 75 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1379E-01 + 2 | 4.7079E-06 + 3 | 3.3714E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1379E-01 + 2 | 4.7079E-06 + 3 | 3.3714E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004629802 seconds. + +--------------------------------------------+ + Sweep number 75 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023724371 seconds. + +--------------------------------------------+ + Sweep number 75 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.04816168 seconds. + +--------------------------------------------+ + Sweep number 75 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9902E-01 + 2 | 5.7700E-06 + 3 | 7.0050E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.058981119 seconds. + +--------------------------------------------+ + Sweep number 75 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9902E-01 + 2 | 5.7700E-06 + 3 | 7.0050E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.06099701 seconds. + +--------------------------------------------+ + Sweep number 76 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9902E-01 + 2 | 5.7700E-06 + 3 | 7.0050E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9902E-01 + 2 | 5.7700E-06 + 3 | 7.0050E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.06434313 seconds. + +--------------------------------------------+ + Sweep number 76 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.082565243 seconds. + +--------------------------------------------+ + Sweep number 76 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.107730029 seconds. + +--------------------------------------------+ + Sweep number 76 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1356E-01 + 2 | 4.7095E-06 + 3 | 3.3956E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.121266903 seconds. + +--------------------------------------------+ + Sweep number 76 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1356E-01 + 2 | 4.7095E-06 + 3 | 3.3956E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.124097651 seconds. + +--------------------------------------------+ + Sweep number 77 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1356E-01 + 2 | 4.7095E-06 + 3 | 3.3956E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1356E-01 + 2 | 4.7095E-06 + 3 | 3.3956E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004615667 seconds. + +--------------------------------------------+ + Sweep number 77 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.023892683 seconds. + +--------------------------------------------+ + Sweep number 77 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.048784729 seconds. + +--------------------------------------------+ + Sweep number 77 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9857E-01 + 2 | 5.7487E-06 + 3 | 7.0045E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.059767972 seconds. + +--------------------------------------------+ + Sweep number 77 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9857E-01 + 2 | 5.7487E-06 + 3 | 7.0045E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.061810557 seconds. + +--------------------------------------------+ + Sweep number 78 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9857E-01 + 2 | 5.7487E-06 + 3 | 7.0045E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9857E-01 + 2 | 5.7487E-06 + 3 | 7.0045E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.065221127 seconds. + +--------------------------------------------+ + Sweep number 78 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.083392411 seconds. + +--------------------------------------------+ + Sweep number 78 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.107530522 seconds. + +--------------------------------------------+ + Sweep number 78 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1334E-01 + 2 | 4.7111E-06 + 3 | 3.4193E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.120852274 seconds. + +--------------------------------------------+ + Sweep number 78 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1334E-01 + 2 | 4.7111E-06 + 3 | 3.4193E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.12338879 seconds. + +--------------------------------------------+ + Sweep number 79 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1334E-01 + 2 | 4.7111E-06 + 3 | 3.4193E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1334E-01 + 2 | 4.7111E-06 + 3 | 3.4193E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.004415245 seconds. + +--------------------------------------------+ + Sweep number 79 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.024100843 seconds. + +--------------------------------------------+ + Sweep number 79 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.052698769 seconds. + +--------------------------------------------+ + Sweep number 79 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9812E-01 + 2 | 5.7278E-06 + 3 | 7.0034E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.072745347 seconds. + +--------------------------------------------+ + Sweep number 79 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9812E-01 + 2 | 5.7278E-06 + 3 | 7.0034E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.078023291 seconds. + +--------------------------------------------+ + Sweep number 80 - site numbers 4 and 5 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9812E-01 + 2 | 5.7278E-06 + 3 | 7.0034E-11 ++------------+------------+ +Cutoff - 1e-50 +Sum: 4 -> 3 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9812E-01 + 2 | 5.7278E-06 + 3 | 7.0034E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.082124981 seconds. + +--------------------------------------------+ + Sweep number 80 - site numbers 3 and 4 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.106572302 seconds. + +--------------------------------------------+ + Sweep number 80 - site numbers 2 and 3 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 40 -> 35 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.135515385 seconds. + +--------------------------------------------+ + Sweep number 80 - site numbers 1 and 2 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.9387E-01 + 2 | 1.5680E-05 + 3 | 3.8790E-10 + 4 | 6.1202E-15 ++------------+------------+ +Cutoff - 1e-50 +Sum: 12 -> 10 ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1312E-01 + 2 | 4.7128E-06 + 3 | 3.4424E-11 ++------------+------------+ +Memory usage : 201348 201348 +Sweep has been running for 0.150518713 seconds. + +--------------------------------------------+ + Sweep number 80 - site numbers 0 and 1 + +--------------------------------------------+ ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.1312E-01 + 2 | 4.7128E-06 + 3 | 3.4424E-11 ++------------+------------+ + Energy = -229.60779893877 +Cutoff - 1e-50 +Sum: 4 -> 3 +Memory usage : 201348 201348 +Sweep has been running for 0.153652274 seconds. +Task took 12.941617 seconds. diff --git a/examples/TD-DMRG/FCIDUMP_Benzene_631Gs_CAS6-6 b/examples/TD-DMRG/FCIDUMP_Benzene_631Gs_CAS6-6 new file mode 100644 index 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0.218346809057E-01 3 2 4 1 + 0.137553175046 4 1 4 1 + 0.833226832200E-01 3 1 4 2 + -0.270771262413E-02 3 2 4 2 + -0.123112450743 4 1 4 2 + 0.127594100045 4 2 4 2 + -0.143345130794 1 1 4 3 + 0.733156940616E-01 2 1 4 3 + -0.984145436380E-01 2 2 4 3 + -0.548241399472E-01 3 3 4 3 + 0.675771906037E-01 4 3 4 3 + -0.167748159247 4 4 4 3 + 0.662820064425 1 1 4 4 + -0.201494810589 2 1 4 4 + 0.552219756992 2 2 4 4 + 0.442474250678 3 3 4 4 + 0.740170356689 4 4 4 4 + -1.24509534216 1 1 0 0 + 0.167073344018 2 1 0 0 + -0.178953017984 2 2 0 0 + -0.549284223834 3 3 0 0 + 0.207313806957 4 3 0 0 + 0.214479164774 4 4 0 0 + 0.713753993350 0 0 0 0 diff --git a/examples/iTD-DMRG/H2_2e4o.TI.SS.inp b/examples/iTD-DMRG/H2_2e4o.TI.SS.inp new file mode 100644 index 000000000..d49a3096f --- /dev/null +++ b/examples/iTD-DMRG/H2_2e4o.TI.SS.inp @@ -0,0 +1,44 @@ +// +-----------------------------------------------------------------+ +// EXAMPLE 1: Conventional TI DMRG with CAS(4,4) for the H2 molecule +// +-----------------------------------------------------------------+ + +// -- General parameters -- +L = 4 +max_bond_dimension = 100 +nsweeps = 40 +irrep = 0 +nelec = 2 +spin = 0 +symmetry = '2u1pg' +u1_total_charge1 = 1 +u1_total_charge2 = 1 +LATTICE = "orbitals" +CONSERVED_QUANTUMNUMBERS = "Nup,Ndown" +MODEL = "quantum_chemistry" +integral_file = "FCIDUMP_H2_TI" +lattice_library = "coded" +model_library = "coded" +optimization = singlesite +use_compressed = 0 +conv_thresh = 0.100000E-40 + +// -- SVD truncation -- +truncation_initial = 1e-50 +truncation_final = 1e-50 + +// -- Mixing parameter -- +alpha_initial = 1e-10 +alpha_main = 1e-20 +alpha_final = 1e-30 + +// -- Initialization and storage information -- +init_state = 'const' +chkpfile = 'H2_2e4o.TI.SS.checkpoint_state.0.h5' +resultfile = 'H2_2e4o.TI.SS.results_state.0.h5' +orbital_order = '1,2,3,4' + +// -- Jacobi-Davidson parameters -- +ietl_jcd_maxiter = 10 +ietl_jcd_tol = 1e-8 +conv_thresh = -1 +integral_cutoff = 1e-300 diff --git a/examples/iTD-DMRG/H2_2e4o.TI.SS.out b/examples/iTD-DMRG/H2_2e4o.TI.SS.out new file mode 100644 index 000000000..7686e216d --- /dev/null +++ b/examples/iTD-DMRG/H2_2e4o.TI.SS.out @@ -0,0 +1,2170 @@ + SCINE QCMaquis + Quantum Chemical Density Matrix Renormalization group + available from https://scine.ethz.ch/download/qcmaquis + based on the ALPS MPS codes from http://alps.comp-phys.org/ + copyright (c) 2015-2018 Laboratory of Physical Chemistry, ETH Zurich + copyright (c) 2012-2016 by Sebastian Keller + copyright (c) 2016-2018 by Alberto Baiardi, Leon Freitag, + Stefan Knecht, Yingjin Ma + for details see the publication: + S. Keller et al., J. Chem. Phys. 143, 244118 (2015) + +This binary contains symmetries: 2u1pg su2u1pg +DMRG version 3.0.3-f912a11c823f625ca9efdf6df254793d54066a88 (TDDMRG-Merge) release-3.0.2-gitlab +Temporary storage is disabled +The hamiltonian will contain 179 terms +MPO Bond 0: 41/14 +MPO Bond 1: 44/16 +MPO Bond 2: 17/6 +MPO Bond 3: 1/0 +site_types: 0 0 0 0 +phys[0]: |( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Right end: <1,1,0> +init norm: 0.01479289941 +MPS site 0 +|( <0,0,0>: 1 )| +Sum: 1 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +MPS site 1 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +|( <1,1,0>: 1 )( <1,0,0>: 2 )( <0,1,0>: 2 )( <0,0,0>: 1 )| +Sum: 6 +MPS site 2 +|( <1,1,0>: 1 )( <1,0,0>: 2 )( <0,1,0>: 2 )( <0,0,0>: 1 )| +Sum: 6 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +MPS site 3 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +|( <1,1,0>: 1 )| +Sum: 1 + +MPS initialization has finished... +Expecting 0 states to orthogonalize to. +Boundaries are partially initialized... +Boundaries are fully initialized... +Done init_left_right +Sweep 0, optimizing site 0 +JCD used 4 iterations. +Time elapsed in JCD: 0.005944391 +Energy 1 -1.12927985891714 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.009029996 seconds. +Sweep 0, optimizing site 1 +JCD used 10 iterations. +Time elapsed in JCD: 0.031712037 +Energy 1 -1.13823538345521 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.046599378 seconds. +Sweep 0, optimizing site 2 +JCD used 7 iterations. +Time elapsed in JCD: 0.01440827 +Energy 1 -1.15167754225439 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.064887446 seconds. +Sweep 0, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.001019018 +Energy 1 -1.15167754253278 +Sweep has been running for 0.066434054 seconds. +Syncing storage +Sweep 0, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000749418 +Energy -1 -1.15167754253278 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.068572385 seconds. +Sweep 0, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002203183 +Energy -1 -1.15167754253278 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.075418499 seconds. +Sweep 0, optimizing site 1 +JCD used 6 iterations. +Time elapsed in JCD: 0.015341412 +Energy -1 -1.15168272160149 +Growing, alpha = 1e-30 +Sum: 14 -> 7 +Sweep has been running for 0.095509624 seconds. +Sweep 0, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001313259 +Energy -1 -1.15168272170135 +Sweep has been running for 0.097654654 seconds. +Sweep 1, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001397623 +Energy 1 -1.15168272170135 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004117526 seconds. +Sweep 1, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002554352 +Energy 1 -1.15168272170135 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012096487 seconds. +Sweep 1, optimizing site 2 +JCD used 6 iterations. +Time elapsed in JCD: 0.011760491 +Energy 1 -1.15168273446989 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.027688052 seconds. +Sweep 1, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000718958 +Energy 1 -1.15168273210217 +Sweep has been running for 0.028931671 seconds. +Syncing storage +Sweep 1, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000739851 +Energy -1 -1.15168273210217 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.031051133 seconds. +Sweep 1, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002062688 +Energy -1 -1.15168273210217 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.037499619 seconds. +Sweep 1, optimizing site 1 +JCD used 5 iterations. +Time elapsed in JCD: 0.012758143 +Energy -1 -1.15168273107289 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.056316888 seconds. +Sweep 1, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00171863 +Energy -1 -1.1516827321181 +Sweep has been running for 0.058965327 seconds. +Sweep 2, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001427853 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004170662 seconds. +Sweep 2, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002677382 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.013097823 seconds. +Sweep 2, optimizing site 2 +JCD used 3 iterations. +Time elapsed in JCD: 0.005862152 +Energy 1 -1.15168273370585 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.022927909 seconds. +Sweep 2, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000874868 +Energy 1 -1.1516827321181 +Sweep has been running for 0.024360705 seconds. +Syncing storage +Sweep 2, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000724553 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.026440651 seconds. +Sweep 2, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001999159 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.032838924 seconds. +Sweep 2, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002568378 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.040401205 seconds. +Sweep 2, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001370371 +Energy -1 -1.1516827321181 +Sweep has been running for 0.042606041 seconds. +Sweep 3, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001422347 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.00419063 seconds. +Sweep 3, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002535807 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.012096192 seconds. +Sweep 3, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002017765 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.017954554 seconds. +Sweep 3, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.001237602 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019777165 seconds. +Syncing storage +Sweep 3, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000746371 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021885812 seconds. +Sweep 3, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001955753 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.028093414 seconds. +Sweep 3, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002887945 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 6 +Sweep has been running for 0.035728324 seconds. +Sweep 3, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001302118 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037858563 seconds. +Sweep 4, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001381006 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004147216 seconds. +Sweep 4, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002595912 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.01234972 seconds. +Sweep 4, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.00200714 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.018267879 seconds. +Sweep 4, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000736679 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019538386 seconds. +Syncing storage +Sweep 4, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000723957 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021680346 seconds. +Sweep 4, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.00206968 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 6 +Sweep has been running for 0.028304483 seconds. +Sweep 4, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002549711 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 13 -> 9 +Sweep has been running for 0.035692921 seconds. +Sweep 4, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001345056 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037889558 seconds. +Sweep 5, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001428268 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004194226 seconds. +Sweep 5, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002559321 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.012244969 seconds. +Sweep 5, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001984563 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.018339687 seconds. +Sweep 5, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000737104 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019608705 seconds. +Syncing storage +Sweep 5, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000724029 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021682299 seconds. +Sweep 5, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001994643 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.028026482 seconds. +Sweep 5, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002543573 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.036051012 seconds. +Sweep 5, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001309705 +Energy -1 -1.1516827321181 +Sweep has been running for 0.038191087 seconds. +Sweep 6, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001387017 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004077153 seconds. +Sweep 6, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002556399 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012160436 seconds. +Sweep 6, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002043495 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.018166019 seconds. +Sweep 6, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000717774 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019406314 seconds. +Syncing storage +Sweep 6, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000701859 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021430307 seconds. +Sweep 6, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001990398 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027666654 seconds. +Sweep 6, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002490904 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.034931643 seconds. +Sweep 6, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001310724 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037072869 seconds. +Sweep 7, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001449645 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.00421292 seconds. +Sweep 7, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002622539 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012344301 seconds. +Sweep 7, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001958466 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.018155002 seconds. +Sweep 7, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000716502 +Energy 1 -1.1516827321181 +Sweep has been running for 0.01938772 seconds. +Syncing storage +Sweep 7, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00070181 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021412198 seconds. +Sweep 7, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001948428 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027641051 seconds. +Sweep 7, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002481495 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.034870421 seconds. +Sweep 7, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001310409 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037008433 seconds. +Sweep 8, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001354135 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004026567 seconds. +Sweep 8, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002624562 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 9 +Sweep has been running for 0.01209369 seconds. +Sweep 8, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001959317 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 16 -> 10 +Sweep has been running for 0.017900489 seconds. +Sweep 8, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000719812 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019137488 seconds. +Syncing storage +Sweep 8, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000742777 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021196108 seconds. +Sweep 8, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001955291 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027406682 seconds. +Sweep 8, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00249212 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.034680745 seconds. +Sweep 8, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001314927 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037020393 seconds. +Sweep 9, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001412384 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004141256 seconds. +Sweep 9, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002558139 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012394591 seconds. +Sweep 9, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002079248 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 11 +Sweep has been running for 0.018519102 seconds. +Sweep 9, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000740319 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019815554 seconds. +Syncing storage +Sweep 9, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000727692 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021899934 seconds. +Sweep 9, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001999384 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.028255674 seconds. +Sweep 9, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002545845 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.035672373 seconds. +Sweep 9, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001347739 +Energy -1 -1.15168273211811 +Sweep has been running for 0.03786923 seconds. +Sweep 10, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001502085 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.00436042 seconds. +Sweep 10, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002829979 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.013364268 seconds. +Sweep 10, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002236045 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.019894608 seconds. +Sweep 10, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000836296 +Energy 1 -1.1516827321181 +Sweep has been running for 0.021349121 seconds. +Syncing storage +Sweep 10, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000784163 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.023545541 seconds. +Sweep 10, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002118164 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.030199143 seconds. +Sweep 10, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002629635 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.037710457 seconds. +Sweep 10, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001403742 +Energy -1 -1.15168273211811 +Sweep has been running for 0.039944315 seconds. +Sweep 11, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001548696 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004329674 seconds. +Sweep 11, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002526781 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012395348 seconds. +Sweep 11, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001956773 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.018375111 seconds. +Sweep 11, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000719874 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019614898 seconds. +Syncing storage +Sweep 11, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000706277 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021694028 seconds. +Sweep 11, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002069298 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.028036621 seconds. +Sweep 11, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002758876 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.035755417 seconds. +Sweep 11, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001357395 +Energy -1 -1.15168273211811 +Sweep has been running for 0.03794046 seconds. +Sweep 12, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001352122 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004018734 seconds. +Sweep 12, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002548681 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.011936723 seconds. +Sweep 12, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001960644 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.017717557 seconds. +Sweep 12, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000718164 +Energy 1 -1.1516827321181 +Sweep has been running for 0.01895954 seconds. +Syncing storage +Sweep 12, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000702061 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.020980483 seconds. +Sweep 12, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001955742 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027188658 seconds. +Sweep 12, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002488945 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.034457378 seconds. +Sweep 12, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001313637 +Energy -1 -1.15168273211811 +Sweep has been running for 0.036600846 seconds. +Sweep 13, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001407541 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004079011 seconds. +Sweep 13, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002572997 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.012227976 seconds. +Sweep 13, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001993116 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.01806365 seconds. +Sweep 13, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000712692 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019299468 seconds. +Syncing storage +Sweep 13, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000705823 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.02132168 seconds. +Sweep 13, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001951085 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027511123 seconds. +Sweep 13, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002487856 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.034739311 seconds. +Sweep 13, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00132387 +Energy -1 -1.15168273211811 +Sweep has been running for 0.036890298 seconds. +Sweep 14, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001390844 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004100709 seconds. +Sweep 14, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00252555 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.01201971 seconds. +Sweep 14, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001950787 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 11 +Sweep has been running for 0.01780662 seconds. +Sweep 14, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000718153 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019049973 seconds. +Syncing storage +Sweep 14, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000709957 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021077434 seconds. +Sweep 14, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.00201436 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027504334 seconds. +Sweep 14, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002563822 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 10 +Sweep has been running for 0.034999495 seconds. +Sweep 14, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001350949 +Energy -1 -1.15168273211811 +Sweep has been running for 0.037237841 seconds. +Sweep 15, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001485961 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004195076 seconds. +Sweep 15, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002689799 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.01247969 seconds. +Sweep 15, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001955415 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.018248999 seconds. +Sweep 15, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.0007213 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019493903 seconds. +Syncing storage +Sweep 15, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.0007019 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021517308 seconds. +Sweep 15, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002054247 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.028144936 seconds. +Sweep 15, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002705052 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.035844969 seconds. +Sweep 15, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001354024 +Energy -1 -1.15168273211811 +Sweep has been running for 0.038070098 seconds. +Sweep 16, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001389627 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004091615 seconds. +Sweep 16, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00255043 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.012124049 seconds. +Sweep 16, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002005716 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.018050637 seconds. +Sweep 16, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000777414 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019360878 seconds. +Syncing storage +Sweep 16, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000740461 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021420927 seconds. +Sweep 16, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002089912 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027842124 seconds. +Sweep 16, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002490836 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.035240256 seconds. +Sweep 16, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00131884 +Energy -1 -1.15168273211811 +Sweep has been running for 0.037392771 seconds. +Sweep 17, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001438651 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004162962 seconds. +Sweep 17, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002622218 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012271958 seconds. +Sweep 17, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.00195416 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.01805908 seconds. +Sweep 17, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000720451 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019297605 seconds. +Syncing storage +Sweep 17, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000707979 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021490491 seconds. +Sweep 17, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002024338 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027985665 seconds. +Sweep 17, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002686898 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.035621591 seconds. +Sweep 17, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001347419 +Energy -1 -1.15168273211811 +Sweep has been running for 0.037836634 seconds. +Sweep 18, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001448901 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004118311 seconds. +Sweep 18, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002519369 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012079337 seconds. +Sweep 18, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001953391 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.018047395 seconds. +Sweep 18, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00071856 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019283748 seconds. +Syncing storage +Sweep 18, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000706199 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.0213059 seconds. +Sweep 18, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001951316 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027505841 seconds. +Sweep 18, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002484105 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.03477216 seconds. +Sweep 18, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001314448 +Energy -1 -1.15168273211811 +Sweep has been running for 0.036916161 seconds. +Sweep 19, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001447389 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.00427528 seconds. +Sweep 19, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002601061 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012293102 seconds. +Sweep 19, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001955914 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.018071544 seconds. +Sweep 19, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000713721 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019467454 seconds. +Syncing storage +Sweep 19, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000728019 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.02152291 seconds. +Sweep 19, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001948596 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027737097 seconds. +Sweep 19, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002497621 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.035315197 seconds. +Sweep 19, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001318958 +Energy -1 -1.15168273211811 +Sweep has been running for 0.037470969 seconds. +Sweep 20, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001358418 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004034049 seconds. +Sweep 20, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00257835 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.011972889 seconds. +Sweep 20, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001956784 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.017741537 seconds. +Sweep 20, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000718293 +Energy 1 -1.1516827321181 +Sweep has been running for 0.018978533 seconds. +Syncing storage +Sweep 20, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000706953 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021002721 seconds. +Sweep 20, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001985602 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027235245 seconds. +Sweep 20, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002494989 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.034497646 seconds. +Sweep 20, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001310729 +Energy -1 -1.15168273211811 +Sweep has been running for 0.036640963 seconds. +Sweep 21, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.002187177 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.0067979 seconds. +Sweep 21, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.004183286 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.020051328 seconds. +Sweep 21, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.003206852 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.029386496 seconds. +Sweep 21, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.001124733 +Energy 1 -1.1516827321181 +Sweep has been running for 0.031332833 seconds. +Syncing storage +Sweep 21, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.001085425 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.034737908 seconds. +Sweep 21, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.003186794 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.043089386 seconds. +Sweep 21, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00272636 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 7 +Sweep has been running for 0.050742642 seconds. +Sweep 21, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001316351 +Energy -1 -1.1516827321181 +Sweep has been running for 0.052888392 seconds. +Sweep 22, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001443616 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004291686 seconds. +Sweep 22, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002592738 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012429959 seconds. +Sweep 22, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001992832 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.018433587 seconds. +Sweep 22, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000756639 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019708414 seconds. +Syncing storage +Sweep 22, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000761589 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021786995 seconds. +Sweep 22, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001983992 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 9 +Sweep has been running for 0.028063012 seconds. +Sweep 22, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002600584 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 16 -> 10 +Sweep has been running for 0.035483208 seconds. +Sweep 22, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001313488 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037624059 seconds. +Sweep 23, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001439684 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.00414838 seconds. +Sweep 23, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002564703 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.012245282 seconds. +Sweep 23, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.00198444 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.018033558 seconds. +Sweep 23, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000717314 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019272587 seconds. +Syncing storage +Sweep 23, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00079668 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021518458 seconds. +Sweep 23, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002022181 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027880373 seconds. +Sweep 23, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002527375 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.035189431 seconds. +Sweep 23, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001312691 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037332157 seconds. +Sweep 24, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001410473 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004287096 seconds. +Sweep 24, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002565704 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012329434 seconds. +Sweep 24, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002004345 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 7 +Sweep has been running for 0.018149103 seconds. +Sweep 24, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000715075 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019453117 seconds. +Syncing storage +Sweep 24, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000760912 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021529651 seconds. +Sweep 24, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002011926 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027785858 seconds. +Sweep 24, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002491079 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 10 +Sweep has been running for 0.035028277 seconds. +Sweep 24, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001350582 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037209914 seconds. +Sweep 25, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001391766 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004120377 seconds. +Sweep 25, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002555967 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012078081 seconds. +Sweep 25, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001955012 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 7 +Sweep has been running for 0.017844484 seconds. +Sweep 25, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000718165 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019079233 seconds. +Syncing storage +Sweep 25, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000705067 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021098102 seconds. +Sweep 25, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001951148 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.02733681 seconds. +Sweep 25, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002485277 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.034787737 seconds. +Sweep 25, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001310711 +Energy -1 -1.1516827321181 +Sweep has been running for 0.036928987 seconds. +Sweep 26, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001465165 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004256268 seconds. +Sweep 26, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002553349 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.01217495 seconds. +Sweep 26, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001946876 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.017946538 seconds. +Sweep 26, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000718378 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019184937 seconds. +Syncing storage +Sweep 26, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000701715 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021202387 seconds. +Sweep 26, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001986877 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027441322 seconds. +Sweep 26, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002487043 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 6 +Sweep has been running for 0.034687076 seconds. +Sweep 26, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001303418 +Energy -1 -1.1516827321181 +Sweep has been running for 0.036815508 seconds. +Sweep 27, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001347769 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004009043 seconds. +Sweep 27, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002588926 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.01196616 seconds. +Sweep 27, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001953811 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.017743208 seconds. +Sweep 27, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000713959 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019049332 seconds. +Syncing storage +Sweep 27, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.001109866 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021548091 seconds. +Sweep 27, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002002709 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 6 +Sweep has been running for 0.028156867 seconds. +Sweep 27, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.0026381 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 13 -> 9 +Sweep has been running for 0.035592146 seconds. +Sweep 27, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00131383 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037739503 seconds. +Sweep 28, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001554729 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004226794 seconds. +Sweep 28, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002581724 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.012278057 seconds. +Sweep 28, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002008508 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.018270712 seconds. +Sweep 28, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000757446 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019546151 seconds. +Syncing storage +Sweep 28, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000743318 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.02160694 seconds. +Sweep 28, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001987042 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027854432 seconds. +Sweep 28, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00249028 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.035122914 seconds. +Sweep 28, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001313328 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037265801 seconds. +Sweep 29, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001381794 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004024164 seconds. +Sweep 29, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002570851 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012507245 seconds. +Sweep 29, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002028862 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 11 +Sweep has been running for 0.018483256 seconds. +Sweep 29, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00073405 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019828742 seconds. +Syncing storage +Sweep 29, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000728132 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021906069 seconds. +Sweep 29, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.00200811 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.02833346 seconds. +Sweep 29, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00254861 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 8 +Sweep has been running for 0.03573769 seconds. +Sweep 29, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001312626 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037880442 seconds. +Sweep 30, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001389051 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004151042 seconds. +Sweep 30, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.00262459 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.01221644 seconds. +Sweep 30, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002002409 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 7 +Sweep has been running for 0.018137017 seconds. +Sweep 30, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000736863 +Energy 1 -1.1516827321181 +Sweep has been running for 0.01940474 seconds. +Syncing storage +Sweep 30, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000719206 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021768757 seconds. +Sweep 30, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002048839 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.028067683 seconds. +Sweep 30, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002489714 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 7 +Sweep has been running for 0.0353802 seconds. +Sweep 30, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001316481 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037525235 seconds. +Sweep 31, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001484096 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004220288 seconds. +Sweep 31, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002689917 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012464423 seconds. +Sweep 31, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002009028 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.01843758 seconds. +Sweep 31, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000739978 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019710646 seconds. +Syncing storage +Sweep 31, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000768257 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.022286647 seconds. +Sweep 31, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002032459 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.028760378 seconds. +Sweep 31, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002750243 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.0362983 seconds. +Sweep 31, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001308344 +Energy -1 -1.1516827321181 +Sweep has been running for 0.038435228 seconds. +Sweep 32, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001524709 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004484011 seconds. +Sweep 32, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002863089 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.01340614 seconds. +Sweep 32, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002249295 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 8 +Sweep has been running for 0.019972623 seconds. +Sweep 32, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00083642 +Energy 1 -1.1516827321181 +Sweep has been running for 0.021389827 seconds. +Syncing storage +Sweep 32, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000764992 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.023601479 seconds. +Sweep 32, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002314769 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.03091419 seconds. +Sweep 32, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002771107 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 7 +Sweep has been running for 0.039063171 seconds. +Sweep 32, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001536951 +Energy -1 -1.1516827321181 +Sweep has been running for 0.041583415 seconds. +Sweep 33, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00140853 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004030111 seconds. +Sweep 33, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002604836 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.012745586 seconds. +Sweep 33, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.00245491 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 14 -> 6 +Sweep has been running for 0.019550422 seconds. +Sweep 33, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000804353 +Energy 1 -1.1516827321181 +Sweep has been running for 0.020887759 seconds. +Syncing storage +Sweep 33, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00077643 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.023109337 seconds. +Sweep 33, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002157427 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.029884807 seconds. +Sweep 33, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002695554 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 7 +Sweep has been running for 0.03759878 seconds. +Sweep 33, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001343572 +Energy -1 -1.1516827321181 +Sweep has been running for 0.039830904 seconds. +Sweep 34, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001384364 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004053819 seconds. +Sweep 34, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002488956 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.011948322 seconds. +Sweep 34, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001989978 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.017966117 seconds. +Sweep 34, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000740554 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019237899 seconds. +Syncing storage +Sweep 34, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000725944 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021317981 seconds. +Sweep 34, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.0019884 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027551242 seconds. +Sweep 34, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002491939 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.034800551 seconds. +Sweep 34, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001310682 +Energy -1 -1.1516827321181 +Sweep has been running for 0.036942945 seconds. +Sweep 35, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00143041 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004201637 seconds. +Sweep 35, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002606419 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012220854 seconds. +Sweep 35, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002008508 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.018160838 seconds. +Sweep 35, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000738713 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019430146 seconds. +Syncing storage +Sweep 35, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000724887 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021504514 seconds. +Sweep 35, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001998058 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.02798151 seconds. +Sweep 35, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002627746 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.03610836 seconds. +Sweep 35, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001354006 +Energy -1 -1.1516827321181 +Sweep has been running for 0.038298105 seconds. +Sweep 36, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001433533 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004178832 seconds. +Sweep 36, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002805594 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.013007987 seconds. +Sweep 36, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002079026 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 10 +Sweep has been running for 0.019083567 seconds. +Sweep 36, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000719159 +Energy 1 -1.1516827321181 +Sweep has been running for 0.020327171 seconds. +Syncing storage +Sweep 36, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000744577 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.022393735 seconds. +Sweep 36, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001951173 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.029823522 seconds. +Sweep 36, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.003196317 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 11 +Sweep has been running for 0.039141325 seconds. +Sweep 36, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001548123 +Energy -1 -1.1516827321181 +Sweep has been running for 0.041754119 seconds. +Sweep 37, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001367832 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004174449 seconds. +Sweep 37, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002627978 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012366833 seconds. +Sweep 37, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001957734 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.018152744 seconds. +Sweep 37, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00071422 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019387752 seconds. +Syncing storage +Sweep 37, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000706496 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.02140842 seconds. +Sweep 37, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001992631 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 7 +Sweep has been running for 0.027643791 seconds. +Sweep 37, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002736829 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 14 -> 9 +Sweep has been running for 0.035135867 seconds. +Sweep 37, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001313556 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037278609 seconds. +Sweep 38, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00141556 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004191469 seconds. +Sweep 38, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002560813 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012114604 seconds. +Sweep 38, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002005623 +Energy 1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 15 -> 7 +Sweep has been running for 0.018077738 seconds. +Sweep 38, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000715968 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019411606 seconds. +Syncing storage +Sweep 38, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000703905 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021425491 seconds. +Sweep 38, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002046605 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027721537 seconds. +Sweep 38, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002569617 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.035298721 seconds. +Sweep 38, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001350766 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037483527 seconds. +Sweep 39, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.001456985 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.004197639 seconds. +Sweep 39, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002612491 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.012271671 seconds. +Sweep 39, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.002250982 +Energy 1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.018421903 seconds. +Sweep 39, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.00071459 +Energy 1 -1.1516827321181 +Sweep has been running for 0.019661347 seconds. +Syncing storage +Sweep 39, optimizing site 3 +JCD used 1 iterations. +Time elapsed in JCD: 0.000701524 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 4 -> 4 +Sweep has been running for 0.021680751 seconds. +Sweep 39, optimizing site 2 +JCD used 1 iterations. +Time elapsed in JCD: 0.001954739 +Energy -1 -1.15168273211811 +Growing, alpha = 1e-30 +Sum: 9 -> 8 +Sweep has been running for 0.027921704 seconds. +Sweep 39, optimizing site 1 +JCD used 1 iterations. +Time elapsed in JCD: 0.002526028 +Energy -1 -1.1516827321181 +Growing, alpha = 1e-30 +Sum: 15 -> 9 +Sweep has been running for 0.035225499 seconds. +Sweep 39, optimizing site 0 +JCD used 1 iterations. +Time elapsed in JCD: 0.00131812 +Energy -1 -1.1516827321181 +Sweep has been running for 0.037546983 seconds. +Task took 7.258776 seconds. diff --git a/examples/iTD-DMRG/H2_2e4o.iTD.SS.inp b/examples/iTD-DMRG/H2_2e4o.iTD.SS.inp new file mode 100644 index 000000000..5ca1fc538 --- /dev/null +++ b/examples/iTD-DMRG/H2_2e4o.iTD.SS.inp @@ -0,0 +1,54 @@ +// +----------------------------------------------------------------+ +// EXAMPLE 1: Imaginary-time DMRG with CAS(4,4) for the H2 molecule +// +----------------------------------------------------------------+ + +// -- General parameters -- +L = 4 +max_bond_dimension = 100 +nsweeps = 40 +irrep = 0 +nelec = 2 +spin = 0 +symmetry = '2u1pg' +u1_total_charge1 = 1 +u1_total_charge2 = 1 +LATTICE = "orbitals" +CONSERVED_QUANTUMNUMBERS = "Nup,Ndown" +MODEL = "quantum_chemistry" +integral_file = "FCIDUMP_H2_TD" +lattice_library = "coded" +model_library = "coded" +optimization = singlesite +use_compressed = 0 +conv_thresh = 0.100000E-40 + +// -- SVD truncation -- +truncation_initial = 1e-50 +truncation_final = 1e-50 + +// -- Mixing parameter -- +alpha_initial = 1e-10 +alpha_main = 1e-20 +alpha_final = 1e-30 + +// -- Initialization and storage information -- +init_state = 'const' +chkpfile = 'H2_2e4o.iTD.SS.checkpoint_state.0.h5' +resultfile = 'H2_2e4o.iTD.SS.results_state.0.h5' +orbital_order = '1,2,3,4' + +// -- Jacobi-Davidson parameters -- +ietl_jcd_maxiter = 10 +ietl_jcd_tol = 1e-8 +conv_thresh = -1 +integral_cutoff = 1e-300 + +// -- Time-dependent simulation -- +simulation_type = TD +propagator_accuracy = 1.0E-10 +propagator_maxiter = 10 +time_step = 0.2 +hamiltonian_units = "Hartree" +time_units = "fs" +imaginary_time = "yes" +TD_backpropagation = "no" diff --git a/examples/iTD-DMRG/H2_2e4o.iTD.SS.out b/examples/iTD-DMRG/H2_2e4o.iTD.SS.out new file mode 100644 index 000000000..2b7e60efc --- /dev/null +++ b/examples/iTD-DMRG/H2_2e4o.iTD.SS.out @@ -0,0 +1,5285 @@ + SCINE QCMaquis + Quantum Chemical Density Matrix Renormalization group + available from https://scine.ethz.ch/download/qcmaquis + based on the ALPS MPS codes from http://alps.comp-phys.org/ + copyright (c) 2015-2018 Laboratory of Physical Chemistry, ETH Zurich + copyright (c) 2012-2016 by Sebastian Keller + copyright (c) 2016-2021 by Alberto Baiardi, Leon Freitag, + Stefan Knecht, Yingjin Ma + for details see the publication: + A. Baiardi, J. Chem. Theory Comput. 17, 3320 (2021) + +This binary contains symmetries: 2u1pg su2u1pg +DMRG version 3.0.3-f912a11c823f625ca9efdf6df254793d54066a88 (TDDMRG-Merge) release-3.0.2-gitlab +Temporary storage is disabled +The hamiltonian will contain 179 terms +MPO Bond 0: 41/14 +MPO Bond 1: 44/16 +MPO Bond 2: 17/6 +MPO Bond 3: 1/0 +site_types: 0 0 0 0 +phys[0]: |( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Right end: <1,1,0> +init norm: (0.01479289941,0) +MPS site 0 +|( <0,0,0>: 1 )| +Sum: 1 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +MPS site 1 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +|( <1,1,0>: 1 )( <1,0,0>: 2 )( <0,1,0>: 2 )( <0,0,0>: 1 )| +Sum: 6 +MPS site 2 +|( <1,1,0>: 1 )( <1,0,0>: 2 )( <0,1,0>: 2 )( <0,0,0>: 1 )| +Sum: 6 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +MPS site 3 +|( <1,1,0>: 1 )( <1,0,0>: 1 )( <0,1,0>: 1 )( <0,0,0>: 1 )| +Sum: 4 +|( <1,1,0>: 1 )| +Sum: 1 + +MPS initialization has finished... +Partial initialization of boundaries completed. +Full initialization of boundaries completed. +Done init_left_right + +-----------------------------------+ + Sweep number 1 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.4095E-01 + 2 | 9.5572E-02 + 3 | 4.3990E-05 + 4 | 2.7530E-20 ++------------+------------+ + Energy after = -1.837422895 + Energy with core = -1.123668902 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.012694955 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 1 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.5596E-01 + 2 | 2.9802E-03 + 3 | 3.2167E-04 + 4 | 1.1005E-04 + 5 | 8.5202E-06 + 6 | 5.2820E-07 + 7 | 6.4205E-09 + 8 | 5.3023E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.042147002 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 1 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.5369E-01 + 2 | 3.2417E-03 + 3 | 3.9330E-04 + 4 | 1.9389E-05 + 5 | 2.6446E-06 + 6 | 5.3748E-09 + 7 | 2.5245E-13 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.062692096 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 1 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.7427E-04 + 2 | 1.2385E-09 + 3 | 3.3141E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.066721299 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 2 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.7095E-07 + 2 | 1.6341E-14 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.069637951 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 2 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0378E-03 + 2 | 7.1291E-07 + 3 | 1.5953E-07 + 4 | 1.2428E-08 + 5 | 1.2905E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.084672181 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 2 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.9448E-03 + 2 | 2.5149E-05 + 3 | 5.4167E-07 + 4 | 2.0118E-08 + 5 | 1.1341E-09 + 6 | 7.3502E-14 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.105420796 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 2 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.3315E-04 + 2 | 1.7720E-09 + 3 | 2.4574E-11 ++------------+------------+ + Energy after = -1.865436099 + Energy with core = -1.151682106 +Cutoff - 1e-50 + Sweep has been running for 0.11235315 seconds. + +Memory usage : 199200 197152 + +-----------------------------------+ + Sweep number 3 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 3.1720E-06 + 2 | 2.9414E-12 ++------------+------------+ + Energy after = -1.865436099 + Energy with core = -1.151682106 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.00539497 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 3 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 4.3456E-05 + 2 | 9.9771E-10 + 3 | 2.3871E-10 + 4 | 4.6776E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.020304487 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 3 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1031E-03 + 2 | 1.8360E-07 + 3 | 2.2990E-08 + 4 | 2.1732E-10 + 5 | 6.1868E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.033902197 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 3 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.9526E-06 + 2 | 1.3932E-13 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.036564348 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 4 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.4491E-07 + 2 | 1.1201E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.039619939 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 4 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.1736E-06 + 2 | 1.0265E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.046391967 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 4 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 7.2088E-05 + 2 | 9.2572E-10 + 3 | 1.1229E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.057673211 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 4 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1092E-06 + 2 | 3.1702E-13 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.062904632 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 5 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 3.2461E-07 + 2 | 1.8982E-14 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.005603313 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 5 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.3988E-06 + 2 | 5.4792E-13 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.014414492 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 5 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 8.5781E-06 + 2 | 1.0632E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.021166763 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 5 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6046E-06 + 2 | 4.1785E-14 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.023859449 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 6 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 7.8658E-08 + 2 | 2.3741E-16 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.026763479 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 6 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.5531E-06 + 2 | 1.2394E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.033711399 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 6 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 7.3328E-07 + 2 | 1.6577E-13 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.042111814 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 6 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0918E-08 + 2 | 2.0863E-16 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.047381759 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 7 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.8672E-09 + 2 | 6.7590E-18 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.008673649 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 7 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.5290E-07 + 2 | 3.5826E-14 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022259944 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 7 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 4.9965E-07 + 2 | 2.6841E-14 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.02920567 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 7 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.4226E-08 + 2 | 5.8102E-16 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.03198163 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 8 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.6612E-08 + 2 | 2.2849E-17 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.034951015 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 8 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.8703E-08 + 2 | 4.9847E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.042133787 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 8 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.0477E-07 + 2 | 1.0032E-15 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.050719842 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 8 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.4914E-09 + 2 | 7.7024E-18 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.056042106 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 9 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.4541E-09 + 2 | 2.3888E-19 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.005407135 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 9 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.7259E-08 + 2 | 3.3872E-16 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.014091383 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 9 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.3511E-08 + 2 | 3.4985E-17 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.020918475 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 9 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 2.3193E-09 + 2 | 1.9918E-19 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.023749138 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 10 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.7803E-10 + 2 | 5.6281E-22 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.026718385 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 10 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 4.0600E-09 + 2 | 1.2663E-17 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.033582076 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 10 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.7365E-09 + 2 | 5.6790E-18 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.041949478 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 10 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 7.4620E-10 + 2 | 9.2401E-20 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.047243857 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 11 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.7604E-10 + 2 | 5.3055E-21 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.005417835 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 11 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 8.7378E-10 + 2 | 8.7135E-19 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.014081073 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 11 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.5997E-09 + 2 | 2.9471E-19 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.020624913 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 11 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.8140E-10 + 2 | 6.4409E-22 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.02336637 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 12 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 7.2928E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.025496387 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 12 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 3.1572E-10 + 2 | 6.1311E-20 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.032204911 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 12 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 4.7287E-10 + 2 | 2.9235E-20 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.04031459 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 12 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.7753E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.044134774 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 13 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.7753E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.00392757 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 13 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1550E-10 + 2 | 1.2065E-20 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.012542167 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 13 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.2922E-10 + 2 | 3.3691E-21 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.01904681 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 13 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6380E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.020926088 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 14 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6380E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.023004382 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 14 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.027607741 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 14 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.032864539 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 14 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.036674701 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 15 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003962468 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 15 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009824943 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 15 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014497394 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 15 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6380E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016540452 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 16 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6380E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018659606 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 16 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023357687 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 16 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028788062 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 16 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032737573 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 17 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003919868 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 17 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009805156 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 17 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014297577 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 17 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016225071 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 18 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018485101 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 18 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.02392881 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 18 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.029852602 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 18 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.034504195 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 19 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004058997 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 19 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.010551083 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 19 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.015583551 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 19 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.017727762 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 20 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.019941547 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 20 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.024692584 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 20 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.030186885 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 20 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.034296397 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 21 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003853458 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 21 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009695129 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 21 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014184175 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 21 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016033514 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 22 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018106107 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 22 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022892669 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 22 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028171094 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 22 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032068305 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 23 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004248114 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 23 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.011006871 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 23 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.016516229 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 23 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.018533617 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 24 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.02078722 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 24 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.025513158 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 24 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.03086839 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 24 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.035027294 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 25 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003962753 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 25 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009761674 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 25 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014454162 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 25 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016341304 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 26 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018417443 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 26 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023018805 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 26 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028287796 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 26 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.0323292 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 27 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004328041 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 27 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.010400149 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 27 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014996637 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 27 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.01692496 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 28 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.01896575 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 28 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023630647 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 28 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.02971587 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 28 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.033572384 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 29 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.00391524 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 29 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009656339 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 29 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014018257 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 29 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.015916425 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 30 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018005563 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 30 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022595342 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 30 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028129592 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 30 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032174442 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 31 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003847652 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 31 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.010518274 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 31 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.015728569 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 31 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.01799588 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 32 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6379E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.020574458 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 32 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.026239743 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 32 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.032404105 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 32 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.03765799 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 33 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003961698 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 33 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009767838 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 33 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014175639 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 33 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.01602053 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 34 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018088834 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 34 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023288033 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 34 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028794168 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 34 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032880906 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 35 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004082413 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 35 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.01032945 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 35 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.015298438 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 35 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.017728422 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 36 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.019996978 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 36 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.024925046 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 36 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.030379014 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 36 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.034275577 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 37 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003815296 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 37 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009716426 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 37 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014270362 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 37 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016231613 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 38 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018344826 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 38 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023256375 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 38 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.02851883 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 38 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032625839 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 39 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003844845 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 39 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009672337 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 39 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014043655 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 39 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016072933 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 40 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018134649 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 40 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022716542 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 40 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.027975819 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 40 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.031830624 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 41 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.005090157 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 41 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.011270365 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 41 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.015923555 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 41 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.017906934 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 42 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.020129752 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 42 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.02517337 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 42 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.031547622 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 42 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.036134875 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 43 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003783902 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 43 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009545152 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 43 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.013976116 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 43 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.01585874 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 44 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.01792796 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 44 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022472392 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 44 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.02775651 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 44 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.031572106 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 45 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003807802 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 45 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009672878 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 45 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014191489 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 45 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.01608149 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 46 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018206486 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 46 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022957989 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 46 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028371461 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 46 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032187325 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 47 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003823201 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 47 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009690705 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 47 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014303279 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 47 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016204733 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 48 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018277954 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 48 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022936715 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 48 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028342686 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 48 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032349818 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 49 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003918797 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 49 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009845248 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 49 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014347253 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 49 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.01627109 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 50 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018553056 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 50 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023334599 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 50 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028725117 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 50 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032665469 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 51 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003758328 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 51 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009545592 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 51 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.01448436 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 51 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016504532 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 52 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018613311 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 52 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023156892 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 52 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028423932 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 52 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032260672 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 53 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003747817 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 53 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009482297 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 53 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.013933903 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 53 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.015965379 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 54 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018117657 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 54 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.02280711 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 54 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.02809796 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 54 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032066383 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 55 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004413705 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 55 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.011358464 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 55 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.016515411 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 55 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.018516696 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 56 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.020623435 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 56 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.025434482 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 56 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.030916863 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 56 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.034824882 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 57 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003850439 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 57 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.00957366 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 57 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.013988242 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 57 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.015843781 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 58 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.017986701 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 58 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022585205 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 58 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.0278417 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 58 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.031682662 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 59 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004121922 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 59 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.010679618 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 59 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.015747103 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 59 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.017985277 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 60 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.020273852 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 60 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.025420002 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 60 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.031583384 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 60 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.036178036 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 61 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004010733 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 61 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009947611 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 61 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014369713 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 61 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016247051 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 62 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018277361 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 62 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022854004 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 62 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.02811982 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 62 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.031991859 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 63 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004037598 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 63 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.010003447 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 63 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014415676 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 63 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016303617 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 64 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018399516 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 64 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023133376 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 64 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028566266 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 64 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032397841 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 65 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003927993 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 65 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009766082 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 65 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014180488 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 65 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016082273 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 66 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018115872 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 66 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022698888 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 66 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.027994098 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 66 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032309403 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 67 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003958463 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 67 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009792005 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 67 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014411351 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 67 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016291643 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 68 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.01840074 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 68 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.023007071 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 68 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028228226 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 68 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032103572 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 69 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003968103 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 69 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009714629 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 69 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014141101 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 69 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016021264 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 70 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018057603 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 70 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022808757 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 70 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028353844 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 70 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032394811 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 71 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003825333 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 71 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.00954447 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 71 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014326587 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 71 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016171663 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 72 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018309709 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 72 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022951794 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 72 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028199821 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 72 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032053591 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 73 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.004019768 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 73 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009763744 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 73 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014196196 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 73 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016079812 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 74 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018157739 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 74 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022974587 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 74 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028496514 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 74 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032312022 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 75 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003867184 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 75 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.00991728 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 75 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014345606 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 75 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.016187849 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 76 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.018329343 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 76 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022908924 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 76 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.028476326 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 76 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.032449159 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 77 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003810923 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 77 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009596864 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 77 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.014043467 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 77 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.015919964 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 78 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6378E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.017990352 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 78 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022568238 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 78 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.027840589 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 78 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.031662901 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 79 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.003787567 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 79 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.009513112 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 79 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.013918067 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 79 - site number 3 + +-----------------------------------+ + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Sweep has been running for 0.015765145 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 80 - site number 3 + +-----------------------------------+ +Syncing storage + +Forward propagating the 3-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 9.6377E-12 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.017838088 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 80 - site number 2 + +-----------------------------------+ + +Forward propagating the 2-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 5.0803E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 6 -> 6 + Sweep has been running for 0.022439299 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 80 - site number 1 + +-----------------------------------+ + +Forward propagating the 1-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 6.0141E-11 ++------------+------------+ +Cutoff - 1e-50 + Alpha = 1e-30 +Sum: 4 -> 4 + Sweep has been running for 0.027700258 seconds. + +Memory usage : 199200 197668 + +-----------------------------------+ + Sweep number 80 - site number 0 + +-----------------------------------+ + +Forward propagating the 0-th MPSTensor ++------------+------------+ + ITERATION | ERROR ++------------+------------+ + 1 | 1.1500E-11 ++------------+------------+ + Energy after = -1.865436725 + Energy with core = -1.151682732 +Cutoff - 1e-50 + Sweep has been running for 0.031550754 seconds. + +Memory usage : 199200 197668 +Task took 6.26013 seconds.