target_rmat_ci_module::target_rmat_ci Type Reference

This class handles the storage of target CI coefficients. More...

Inheritance diagram for target_rmat_ci_module::target_rmat_ci:

Collaboration diagram for target_rmat_ci_module::target_rmat_ci:

Public Member Functions
procedure, public	initialize => initialize_cirmat
procedure, public	print => print_cirmat
procedure, public	get_coefficient => get_coefficient_ci
procedure, public	print_vecs
procedure, public	export_eigenvalues
procedure, public	handle_eigenvalues => store_eigenvalues
procedure, public	handle_eigenvector => store_eigenvector
procedure, public	modify_diagonal
procedure, public	modify_l2_diagonal
Public Member Functions inherited from diagonalizerresult_module::diagonalizerresult
procedure(handle_eigenvalues), deferred, public	handle_eigenvalues
procedure(handle_eigenvector), deferred, public	handle_eigenvector
procedure(export_eigenvalues), deferred, public	export_eigenvalues

Private Attributes
integer	set
	Which ci set this belongs to. More...
integer	nstat
	Number of eigenvalues. More...
integer	num_csfs
	Size of the eigenvectors. More...
real(wp)	core_energy
	The associated core energy (for printing) More...
integer	current_eigenvector = 0
real(wp), dimension(:,:), allocatable	eigenvectors
	The ci coefficients. More...
real(wp), dimension(:), allocatable	eigenvalues
	The associated eigenvalues. More...
type(phase), pointer	phase
	Not used, a vestigal type. More...

Detailed Description

This class handles the storage of target CI coefficients.

Authors

A Al-Refaie

Date

2017

Definition at line 52 of file Target_RMat_CI_module.f90.

Member Function/Subroutine Documentation

export_eigenvalues()

procedure, public target_rmat_ci_module::target_rmat_ci::export_eigenvalues

Definition at line 69 of file Target_RMat_CI_module.f90.

get_coefficient()

procedure, public target_rmat_ci_module::target_rmat_ci::get_coefficient

Definition at line 67 of file Target_RMat_CI_module.f90.

handle_eigenvalues()

procedure, public target_rmat_ci_module::target_rmat_ci::handle_eigenvalues

Definition at line 70 of file Target_RMat_CI_module.f90.

handle_eigenvector()

procedure, public target_rmat_ci_module::target_rmat_ci::handle_eigenvector

Definition at line 71 of file Target_RMat_CI_module.f90.

initialize()

procedure, public target_rmat_ci_module::target_rmat_ci::initialize

Definition at line 65 of file Target_RMat_CI_module.f90.

modify_diagonal()

procedure, public target_rmat_ci_module::target_rmat_ci::modify_diagonal

Definition at line 72 of file Target_RMat_CI_module.f90.

modify_l2_diagonal()

procedure, public target_rmat_ci_module::target_rmat_ci::modify_l2_diagonal

Definition at line 73 of file Target_RMat_CI_module.f90.

print()

procedure, public target_rmat_ci_module::target_rmat_ci::print

Definition at line 66 of file Target_RMat_CI_module.f90.

print_vecs()

procedure, public target_rmat_ci_module::target_rmat_ci::print_vecs

Definition at line 68 of file Target_RMat_CI_module.f90.

Member Data Documentation

core_energy

real(wp) target_rmat_ci_module::target_rmat_ci::core_energy

private

The associated core energy (for printing)

Definition at line 56 of file Target_RMat_CI_module.f90.

current_eigenvector

integer target_rmat_ci_module::target_rmat_ci::current_eigenvector = 0

private

Definition at line 57 of file Target_RMat_CI_module.f90.

eigenvalues

real(wp), dimension(:), allocatable target_rmat_ci_module::target_rmat_ci::eigenvalues

private

The associated eigenvalues.

Definition at line 60 of file Target_RMat_CI_module.f90.

eigenvectors

real(wp), dimension(:,:), allocatable target_rmat_ci_module::target_rmat_ci::eigenvectors

private

The ci coefficients.

Definition at line 59 of file Target_RMat_CI_module.f90.

nstat

integer target_rmat_ci_module::target_rmat_ci::nstat

private

Number of eigenvalues.

Definition at line 54 of file Target_RMat_CI_module.f90.

num_csfs

integer target_rmat_ci_module::target_rmat_ci::num_csfs

private

Size of the eigenvectors.

Definition at line 55 of file Target_RMat_CI_module.f90.

phase

type(phase), pointer target_rmat_ci_module::target_rmat_ci::phase

private

Not used, a vestigal type.

Definition at line 61 of file Target_RMat_CI_module.f90.

set

integer target_rmat_ci_module::target_rmat_ci::set

private

Which ci set this belongs to.

Definition at line 53 of file Target_RMat_CI_module.f90.

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The documentation for this type was generated from the following file:

• /home/jakub/Dokumenty/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Hamiltonian/Target_RMat_CI_module.f90