DavidsonDiagonalizer_module Module Reference

Diagonalizer type using Davidson backend. More...

Data Types
type	DavidsonDiagonalizer

Functions/Subroutines
subroutine	diagonalize_davidson (this, matrix_elements, num_eigenpair, dresult, all_procs, option, integrals)
subroutine	diagonalize_writermatrix (this, matrix_elements, num_eigenpair, dresult, all_procs, max_iterations, max_tolerance, option, integrals)

Detailed Description

Diagonalizer type using Davidson backend.

Authors

A Al-Refaie

Date

2017

This type is always available. Uses the SCATCI routine mkdvm.

Note

16/01/2019 - Jakub Benda: Unifom coding style and expanded documentation.

Function/Subroutine Documentation

diagonalize_davidson()

subroutine DavidsonDiagonalizer_module::diagonalize_davidson	(	class(davidsondiagonalizer)	this,
		class(basematrix), intent(in)	matrix_elements,
		integer, intent(in)	num_eigenpair,
		class(diagonalizerresult)	dresult,
		logical, intent(in)	all_procs,
		type(options), intent(in)	option,
		class(baseintegral), intent(in)	integrals )

Definition at line 53 of file DavidsonDiagonalizer_module.f90.

diagonalize_writermatrix()

subroutine DavidsonDiagonalizer_module::diagonalize_writermatrix	(	class(davidsondiagonalizer)	this,
		type(writermatrix), intent(in)	matrix_elements,
		integer, intent(in)	num_eigenpair,
		class(diagonalizerresult)	dresult,
		logical, intent(in)	all_procs,
		integer, intent(in)	max_iterations,
		real(wp), intent(in)	max_tolerance,
		type(options), intent(in)	option,
		class(baseintegral), intent(in)	integrals )

Definition at line 90 of file DavidsonDiagonalizer_module.f90.