MPI-SCATCI  2.0
An MPI version of SCATCI
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 94 of file ARPACKDiagonalizer_module.f90.