CSF_module::CSFObject Type Reference

Single configuration state function. More...

Public Member Functions
procedure, public	print (this)
procedure, public	check_slater (this, that)

Public Attributes
type(csfmanager), pointer	manager
	Pointer to the creator CSFManager object.
type(csforbital), dimension(:), allocatable	orbital
	List of determinants.
integer	num_orbitals
integer	id
integer	orbital_sequence_number
	Pointer to mapping of energies.
logical	is_continuum
	Whether this is a continuum function or not.
integer	target_symmetry
	The i discussed in the paper.
integer	continuum_symmetry
	The gamma discussed in the paper.
integer	continuum_orbital_idx
	The j = 1 or 2 discussed in the paper.
integer	target_configuration
	The 'm' discussed in the paper.

Detailed Description

Single configuration state function.

Authors

A Al-Refaie, J Benda

Date

2017 - 2019

Set of determinants comprising a single configuration state function (CSF). The determinants are represented by instances of the CSFOrbital type.

Definition at line 135 of file CSF_module.F90.

Member Function/Subroutine Documentation

check_slater()

procedure, public CSF_module::CSFObject::check_slater	(	class(csfobject), intent(in)	this,
		class(csfobject), intent(in)	that )

Definition at line 148 of file CSF_module.F90.

print()

procedure, public CSF_module::CSFObject::print

(

class(csfobject), intent(in)

this

)

Definition at line 147 of file CSF_module.F90.

Member Data Documentation

continuum_orbital_idx

integer CSF_module::CSFObject::continuum_orbital_idx

The j = 1 or 2 discussed in the paper.

Definition at line 144 of file CSF_module.F90.

continuum_symmetry

integer CSF_module::CSFObject::continuum_symmetry

The gamma discussed in the paper.

Definition at line 143 of file CSF_module.F90.

id

integer CSF_module::CSFObject::id

Definition at line 139 of file CSF_module.F90.

is_continuum

logical CSF_module::CSFObject::is_continuum

Whether this is a continuum function or not.

Definition at line 141 of file CSF_module.F90.

manager

type(csfmanager), pointer CSF_module::CSFObject::manager

Pointer to the creator CSFManager object.

Definition at line 136 of file CSF_module.F90.

num_orbitals

integer CSF_module::CSFObject::num_orbitals

Definition at line 138 of file CSF_module.F90.

orbital

type(csforbital), dimension(:), allocatable CSF_module::CSFObject::orbital

List of determinants.

Definition at line 137 of file CSF_module.F90.

orbital_sequence_number

integer CSF_module::CSFObject::orbital_sequence_number

Pointer to mapping of energies.

Definition at line 140 of file CSF_module.F90.

target_configuration

integer CSF_module::CSFObject::target_configuration

The 'm' discussed in the paper.

Definition at line 145 of file CSF_module.F90.

target_symmetry

integer CSF_module::CSFObject::target_symmetry

The i discussed in the paper.

Definition at line 142 of file CSF_module.F90.

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

• /scratch.ssd/codes/ukrmol-in-git/source/mpi-ci-diag/Modules/Hamiltonian/CSF_module.F90