LapackDiagonalizer_module Module Reference

Diagonalizer type using LAPACK backend. More...

Data Types
type	LapackDiagonalizer

Functions/Subroutines
subroutine	choose_matelem (this, matrix_elements, num_eigenpair, dresult, all_procs, option, integrals)
subroutine	diagonalize_writer (this, matrix_elements, num_eigenpair, dresult, all_procs, option, integrals)
subroutine	diagonalize_generic (this, matrix_elements, num_eigenpair, eigen, vecs, all_procs)

Detailed Description

Diagonalizer type using LAPACK backend.

Authors

A Al-Refaie

Date

2017

This type is always available. Uses the LAPACK routine dsyevd. Uses a compile-time macro for the BLAS/LAPACK integer, which is long integer by default, or controllable by the compiler flags -Dblas64int/-Dblas32int.

Note

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

Function/Subroutine Documentation

choose_matelem()

subroutine LapackDiagonalizer_module::choose_matelem	(	class(lapackdiagonalizer)	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 57 of file LapackDiagonalizer_module.f90.

diagonalize_generic()

subroutine LapackDiagonalizer_module::diagonalize_generic	(	class(lapackdiagonalizer)	this,
		class(basematrix), intent(in)	matrix_elements,
		integer, intent(in)	num_eigenpair,
		real(wp), dimension(:), intent(inout)	eigen,
		real(wp), dimension(:,:), intent(inout)	vecs,
		logical, intent(in)	all_procs )

Definition at line 179 of file LapackDiagonalizer_module.f90.

diagonalize_writer()

subroutine LapackDiagonalizer_module::diagonalize_writer	(	class(lapackdiagonalizer)	this,
		class(writermatrix), 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 77 of file LapackDiagonalizer_module.f90.