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Davidson diagonalization in Fortran

This package contains a Modern Fortran implementation of the Davidson diagonalization algorithms to compute several eigenvalue-eigenvector pairs of a symmetric matrix

3
contributors

Cite this software

DOI:

10.5281/zenodo.2575423

Description

  • Follows modern Fortran practices
  • Allows both dense and matrix-free calculations.
  • Implements different correction methods

The Davidson method is suitable for diagonal-dominant symmetric matrices, that are quite common
in certain scientific problems like electronic structure. The Davidson method could be not practical
for other kinds of symmetric matrices.

Keywords
High performance computing
Programming languages
License
</>Source code

Participating organisations

Natural Sciences & Engineering
Natural Sciences & Engineering
Netherlands eScience Center

Contributors

Contact person

Nicolas Renaud
Felipe Zapata
Felipe Zapata

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