MPI-SCATCI 2.0
An MPI version of SCATCI
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ARPACKDiagonalizer_module Module Reference

Diagonalizer type using Arpack backend. More...

Data Types

type  ARPACKDiagonalizer

Functions/Subroutines

subroutine diagonalize_ARPACK (this, matrix_elements, num_eigenpair, dresult, all_procs, option, integrals)
subroutine diagonalize_writermatrix (this, matrix_elements, num_eigenpair, dresult, max_iterations, max_tolerance, option, integrals)

Detailed Description

Diagonalizer type using Arpack backend.

Authors
A Al-Refaie
Date
2017

Requires Arpack routine mkarp. This module is only included in the build if ARPACK_LIBRARIES are given on the CMake command line.

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

Function/Subroutine Documentation

◆ diagonalize_ARPACK()

subroutine ARPACKDiagonalizer_module::diagonalize_ARPACK ( class(arpackdiagonalizer) 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 55 of file ARPACKDiagonalizer_module.f90.

◆ diagonalize_writermatrix()

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

Definition at line 89 of file ARPACKDiagonalizer_module.f90.