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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236 commits | Last update: February 05, 2020

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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.

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Tags
  • High performance computing
Programming Language
  • Fortran
License
  • Apache-2.0
Source code

Participating organizations

Contributors

  • Felipe Zapata
    Netherlands eScience Center
  • Nicolas Renaud
    Netherlands eScience Center
  • Pablo Lopez-Tarifa
    Netherlands eScience Center
Contact person
Felipe Zapata
Netherlands eScience Center