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CHANGELOG.md

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Unreleased

Version 0.2.0

Changed

  • Improved variables names.
  • Removed unnecessary ritz_vectors calculations.
  • Optimized the DPR for the free version #34.
  • Removed recomputation of the residues #34.

Version 0.1.0

Changed

  • Update the whole projection matrix after adding some correction vector. Replace the block update schema.

Fixed

Version 0.0.5

New

  • Select the initial orthonormal basis set based on the lowest diagonal elements of the matrix

Version 0.0.4

changed

  • For the Matrix-free implementation, the function that computes the target matrix on the fly, was replaced by another function representing the action of a matrix-operator over a vector

Version 0.0.3

Changed

  • split the dense and matrix free into modules
  • Moved the lapack calls to their own module
  • Moved the array utilities to their own module

Deleted

  • Removed the DPR vs GJD benchmark

Version 0.0.2

Added

  • Algorithm for the Generalized eigenvalue problem using the Davidson method.
  • Matrix free implementation of the Davidson method using the DPR correction.
  • Tests for the lapack wrappers.

Changed

  • Append the orthonormalized correction vector to the previous subspace by computing only the matrix elements involved with the new correction vector.

  • Used as maximum dimension of the subspace 10 times the number of requested eigenvalues.

Version 0.0.1

Dependencies

  • Fortran compiler >= 6.0 (supporting submodules and move_alloc)
  • lapack or MKL.
  • Cmake >= 3.0