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THANKS
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Contributors to the critic2 code:
* Joseph Weatherby at Dalhousie University <[email protected]>:
Effective coordination number (ECON) calculation.
* Jose Luis Casals Sainz at the University of Oviedo
Merge-sort routine in tools.f90
* Enrico Benassi at the Scuola Normale Superiore di Pisa, Italy
The STM module is based on one of Enrico's program, who also
provided guidance and encouragement.
* Robin Myhr, Isaac Visintainer, and Richard Greaves at the University
of British Columbia (Okanagan):
Initial version of the graphical interface.
Critic2 contains code from the following sources. The complete
copyright notice is included in the corresponding files.
* ciftbx: fortran routines for CIF data, by Sydney R. Hall and Herbert
J. Bernstein.
http://www.bernstein-plus-sons.com/software/ciftbx/
The ciftbx package is included in critic2. It is invoked when the
crystal structure is given as a cif file. ciftbx is distributed
under the GNU/GPL v2.
* abinit: electronic structure of periodic solids under the
pseudopotentials/plane-waves approximation. The lead developers are
X. Gonze and D. C. Allan, with contributions from many people (see
doc/developers/contributors.txt) in the abinit distribution.
Modified versions of some of the routines for reading DEN files are
used in abinit_private. The grid interpolation routine (trispline)
also comes from abinit, and was written by A. Lherbier. abinit is
distributed under the GNU/GPL v3.
* wien2k: a FP-LAPW program for calculations in periodic solids, by
P. Blaha, K. Schwarz and others (http://www.wien2k.at/). The
routines for reading struct files and calculate the electron density
were adapted (with permission) from the WIEN2k code.
* elk: a FP-LAPW program for calculations in periodic solids, by
J. K. Dewhurst, S. Sharma, C. Ambrosch-Draxl, and others.
Modified versions of the routines dealing with the elk file formats
and densities are in elk_private.f90. Also, the cfftnd.f90 file is
an almost exact copy of the equivalent file in elk, which in turn is
part of the fftpack5 library by P. Swarztrauber and Richard Valent.
elk is distributed under the GNU/GPL v3.
* spglib: the spglib library is used to calculate symmetry information
for the crystal structures in critic2. spglib was created and is
maintained by Atsushi Togo (atztogo.github.io/spglib). A static copy
of the 1.9.0 version of spglib is shipped with critic2 (src/spglib).
See src/spglib/COPYING for license details.
* cubpack: a package for the automatic integration of n-dimensional
integration regions by numerical cubature. The authors are Alan Genz
and Ronald Cools. Adapted by J. Burkardt.
* The routines for Lebedev integration on the sphere were developed
and coded by V. I. Lebedev and D. N. Laikov. See the header of
integration.f90 for details.
* The keast library (keast.f90) does numerical integration on
tetrahedra. They were developed by A. Nijenhuis and Herbert
Wilf. Converted to fortran90 by J. Burkardt. The library is
distributed under the GNU/LGPL license.
* The routines dealing with aiPI ion files (pi_private.f90) were
adapted from the PI code, by V. Luaña, E. Francisco,
A. Martín-Pendás, M. Flórez, M. Bermejo, and M. Álvarez Blanco.
* Part of the LAPACK (and BLAS) library are included in the oldlibs/
directory, by J. Dongarra and others. LAPACK is under the BSD-new
license.
* A modified version of the quadpack library is used (quadpack.f90)
for vectorial 1D integration. Quadpack was written by R. Piessens,
E. de Doncker, C. Ueberhuber, and D. Kahaner. See
www.netlib.org/quadpack. The version included in critic2 was taken
from John Burkardt's page
(http://orion.math.iastate.edu/burkardt/f_src/f_src.html).
* Part of the bader program sources. Bader is a program for the
integration of scalar fields on a grid developed by Graeme Henkelman
and collaborators at the University of Texas at Austin. The 'bader'
program was written by Wenjie Tang, Andri Arnaldsson, Samuel T.
Chill, and Graeme Henkelman, and distributed under a free license
(GNU/GPL). See the copyright notice in src/bader.f90 for more
details.
* The qhull library is used to calculate the vertices and faces of the
Wigner-Seitz cell, which is an essential component in several parts
of critic2. The author of the library is C. B. Barber and the
Geometry Center at the University of Minnesota. Qhull is free
software and a copy of the library is distributed with critic2. The
exact licensing conditions can be read in src/qhull/COPYING.txt.
Qhull may be obtained via http from www.qhull.org.
* The Gaussian wfn/wfx code has been adapted from postg, by Alberto
Otero de la Roza, Felix Kannemann, Erin R. Johnson, Ross M. Dickson,
Hartmut Schmider, and Axel D. Becke. Postg calculates the dispersion
energy and related quantities in the exchange-hole dipole moment. It
is distributed under GPL.
* The tricubic interpolation routine is based on code by David Kirkby
at the University of California, Irvine
(https://github.com/deepzot/likely).
* The part of the grid_read_unk routine that reads wannnier90
checkpoints has been adapted from wannier90, version
2.0.1. Wannier90 is authored by Jonathan Yates, Arash Mostofi,
Giovanni Pizzi, Young-Su Lee, Nicola Marzari, Ivo Souza, and David
Vanderbilt. Distributed under the GNU/GPL v2.
* The graphical interface (GUI) contains a copy of the Immediate Mode
Graphical User interface (ImGui), coded by Omar Cornut with
contributions from others (https://github.com/ocornut/imgui).
The GUI also uses the font rasterization library of the STB package,
by Sean Barrett and others (https://github.com/nothings/stb).
* The C interface module (by Joseph M. Krahn) provides Fortran
versions of basic functions from the C library and some other
wrappers around the intrinsic iso_c_binding module. It comes from
the Fortran wiki
(http://fortranwiki.org/fortran/show/c_interface_module).
* The json-fortran library by Jacob Williams is used for reading and
writing JSON files (https://github.com/jacobwilliams/json-fortran).
Distributed under BSD license (see src/json-fortran/LICENSE).