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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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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.
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Felipe Zapata
Netherlands eScience Center
Netherlands eScience Center
Netherlands eScience Center
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