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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

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What Davidson diagonalization in Fortran can do for you

  • 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
Programming languages
  • Fortran 80%
  • CMake 12%
  • Python 9%
License
  • Apache-2.0
</>Source code

Participating organisations

Natural Sciences & Engineering
Natural Sciences & Engineering
Netherlands eScience Center

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