SWINTERF-inspired post-processing object. More...

Collaboration diagram for postprocessing_module::outerinterface:

Public Member Functions
procedure, public	init => init_outer_interface

procedure, public	deinit => deinit_outer_interface

procedure, public	setup_amplitudes

procedure, public	extract_data

procedure, public	write_data

Private Member Functions
procedure, private	get_channel_info

procedure, private	get_channel_couplings

procedure, private	get_boundary_data

procedure, private	write_channel_info

procedure, private	write_boundary_data

Private Attributes
integer	maxchan = 10000
	Maximal number of channels per irreducible representation. TODO replace by actual number. More...

integer	maxnmo
	Maximal number of continuum molecular orbitals. More...

integer	ntarg
	Number of outer region states. More...

integer	nchan
	Number of outer region channels. More...

integer	ismax
	Largest angular momentum transfer considered (a.k.a. lamax). More...

integer	nfdm
	Number of radii at which to evaluate the boundary amplitudes. More...

real(wp)	rmatr
	R-matrix radius. More...

real(wp), dimension(:), allocatable	r_points
	Boundary amplitude evaluation radii. More...

type(civect), dimension(:), allocatable	wamp
	Boundary amplitudes (per channel, per eigenstate) for each evaluation radius. More...

integer, dimension(:), allocatable	idtarg
	Denprop-to-congen state order permutation. More...

integer, dimension(:), allocatable	irrchl
	Irreducible representation of the channel state. More...

integer, dimension(:), allocatable	ichl
	Index of target per channel. More...

integer, dimension(:), allocatable	lchl
	Projectile angular momentum per channel. More...

integer, dimension(:), allocatable	mchl
	Projection of angular momentum per channel. More...

integer, dimension(:), allocatable	qchl
	Projectile charge per channel. More...

real(wp), dimension(:), allocatable	echl
	Projectile energy per channel. More...

real(wp), dimension(:,:), allocatable	a
	Long-range coupling coefficients. More...

Detailed Description

SWINTERF-inspired post-processing object.

Authors: J Benda

Date: 2019

This type extracts and stores outer region channels, as well as boundary amplitudes evaluated from the solutions.

Definition at line 55 of file Postprocessing_module.F90.

Member Function/Subroutine Documentation

◆ deinit()

procedure, public postprocessing_module::outerinterface::deinit

Definition at line 78 of file Postprocessing_module.F90.

◆ extract_data()

procedure, public postprocessing_module::outerinterface::extract_data

Definition at line 81 of file Postprocessing_module.F90.

◆ get_boundary_data()

procedure, private postprocessing_module::outerinterface::get_boundary_data

private

Definition at line 84 of file Postprocessing_module.F90.

◆ get_channel_couplings()

procedure, private postprocessing_module::outerinterface::get_channel_couplings

private

Definition at line 83 of file Postprocessing_module.F90.

◆ get_channel_info()

procedure, private postprocessing_module::outerinterface::get_channel_info

private

Definition at line 82 of file Postprocessing_module.F90.

◆ init()

procedure, public postprocessing_module::outerinterface::init

Definition at line 77 of file Postprocessing_module.F90.

◆ setup_amplitudes()

procedure, public postprocessing_module::outerinterface::setup_amplitudes

Definition at line 79 of file Postprocessing_module.F90.

◆ write_boundary_data()

procedure, private postprocessing_module::outerinterface::write_boundary_data

private

Definition at line 88 of file Postprocessing_module.F90.

◆ write_channel_info()

procedure, private postprocessing_module::outerinterface::write_channel_info

private

Definition at line 87 of file Postprocessing_module.F90.

◆ write_data()

procedure, public postprocessing_module::outerinterface::write_data

Definition at line 86 of file Postprocessing_module.F90.

Member Data Documentation

◆ a

real(wp), dimension(:,:), allocatable postprocessing_module::outerinterface::a

private

Long-range coupling coefficients.

Definition at line 75 of file Postprocessing_module.F90.

◆ echl

real(wp), dimension(:), allocatable postprocessing_module::outerinterface::echl

private

Projectile energy per channel.

Definition at line 74 of file Postprocessing_module.F90.

◆ ichl

integer, dimension(:), allocatable postprocessing_module::outerinterface::ichl

private

Index of target per channel.

Definition at line 70 of file Postprocessing_module.F90.

◆ idtarg

integer, dimension(:), allocatable postprocessing_module::outerinterface::idtarg

private

Denprop-to-congen state order permutation.

Definition at line 68 of file Postprocessing_module.F90.

◆ irrchl

integer, dimension(:), allocatable postprocessing_module::outerinterface::irrchl

private

Irreducible representation of the channel state.

Definition at line 69 of file Postprocessing_module.F90.

◆ ismax

integer postprocessing_module::outerinterface::ismax

private

Largest angular momentum transfer considered (a.k.a. lamax).

Definition at line 60 of file Postprocessing_module.F90.

◆ lchl

integer, dimension(:), allocatable postprocessing_module::outerinterface::lchl

private

Projectile angular momentum per channel.

Definition at line 71 of file Postprocessing_module.F90.

◆ maxchan

integer postprocessing_module::outerinterface::maxchan = 10000

private

Maximal number of channels per irreducible representation. TODO replace by actual number.

Definition at line 56 of file Postprocessing_module.F90.

◆ maxnmo

integer postprocessing_module::outerinterface::maxnmo

private

Maximal number of continuum molecular orbitals.

Definition at line 57 of file Postprocessing_module.F90.

◆ mchl

integer, dimension(:), allocatable postprocessing_module::outerinterface::mchl

private

Projection of angular momentum per channel.

Definition at line 72 of file Postprocessing_module.F90.

◆ nchan

integer postprocessing_module::outerinterface::nchan

private

Number of outer region channels.

Definition at line 59 of file Postprocessing_module.F90.

◆ nfdm

integer postprocessing_module::outerinterface::nfdm

private

Number of radii at which to evaluate the boundary amplitudes.

Definition at line 62 of file Postprocessing_module.F90.

◆ ntarg

integer postprocessing_module::outerinterface::ntarg

private

Number of outer region states.

Definition at line 58 of file Postprocessing_module.F90.

◆ qchl

integer, dimension(:), allocatable postprocessing_module::outerinterface::qchl

private

Projectile charge per channel.

Definition at line 73 of file Postprocessing_module.F90.

◆ r_points

real(wp), dimension(:), allocatable postprocessing_module::outerinterface::r_points

private

Boundary amplitude evaluation radii.

Definition at line 65 of file Postprocessing_module.F90.

◆ rmatr

real(wp) postprocessing_module::outerinterface::rmatr

private

R-matrix radius.

Definition at line 63 of file Postprocessing_module.F90.

◆ wamp

type(civect), dimension(:), allocatable postprocessing_module::outerinterface::wamp

private

Boundary amplitudes (per channel, per eigenstate) for each evaluation radius.

Definition at line 66 of file Postprocessing_module.F90.

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

/home/jakub/Dokumenty/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Utilities/Postprocessing_module.F90

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Member Function/Subroutine Documentation

◆ deinit()

◆ extract_data()

◆ get_boundary_data()

◆ get_channel_couplings()

◆ get_channel_info()

◆ init()

◆ setup_amplitudes()

◆ write_boundary_data()

◆ write_channel_info()

◆ write_data()

Member Data Documentation

◆ a

◆ echl

◆ ichl

◆ idtarg

◆ irrchl

◆ ismax

◆ lchl

◆ maxchan

◆ maxnmo

◆ mchl

◆ nchan

◆ nfdm

◆ ntarg

◆ qchl

◆ r_points

◆ rmatr

◆ wamp