enumerate_excitations Module

Uses

Contents

Variables

session

Derived Types

excit_store simple_excit_store

Subroutines

init_generate_connected_space generate_connected_space generate_connected_space_normal generate_connection_normal generate_connected_space_kpnt generate_connection_kpnt

Variables

Type	Visibility	Attributes		Name		Initial
type(ExcitGenSessionType),	public		::	session

Derived Types

type, public :: excit_store

Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	i
integer,	public		::	j
integer,	public		::	orb1
integer,	public		::	orb2
integer,	public		::	sym_ind1
integer,	public		::	sym_ind2
integer,	public		::	ind1
integer,	public		::	ind2
integer,	public		::	count1
integer,	public		::	count2
integer,	public		::	sym1
integer,	public		::	sym2
integer,	public		::	norb_sym
integer,	public		::	sym_prod
integer,	public		::	npairs
logical,	public		::	gen_singles

type, public :: simple_excit_store

Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	i
integer,	public		::	j

Subroutines

public subroutine init_generate_connected_space(nI, ex_flag, tAllExcitFound, excit, excit_gen, nStore, tTempUseBrill)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(out)			::	ex_flag
logical,	intent(out)			::	tAllExcitFound
integer,	intent(out)			::	excit(2,2)
integer,	intent(out),		allocatable	::	excit_gen(:)
integer,	intent(out)			::	nStore(6)
logical,	intent(out)			::	tTempUseBrill

public subroutine generate_connected_space(original_space_size, original_space, connected_space_size, connected_space, tSinglesOnlyOpt)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	original_space_size
integer(kind=n_int),	intent(in)			::	original_space(0:,:)
integer,	intent(inout)			::	connected_space_size
integer(kind=n_int),	intent(out),	optional		::	connected_space(0:,:)
logical,	intent(in),	optional		::	tSinglesOnlyOpt

public subroutine generate_connected_space_normal(original_space_size, original_space, connected_space_size, connected_space, tSinglesOnlyOpt)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	original_space_size
integer(kind=n_int),	intent(in)			::	original_space(0:,:)
integer,	intent(inout)			::	connected_space_size
integer(kind=n_int),	intent(out),	optional		::	connected_space(0:,:)
logical,	intent(in),	optional		::	tSinglesOnlyOpt

public subroutine generate_connection_normal(nI, ilutI, nJ, ilutJ, ex_flag, excit, tAllExcitFound, hel, ncon)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer,	intent(out)			::	nJ(nel)
integer(kind=n_int),	intent(out)			::	ilutJ(0:NIfTot)
integer,	intent(inout)			::	ex_flag
integer,	intent(inout)			::	excit(2,2)
logical,	intent(inout)			::	tAllExcitFound
real(kind=dp),	intent(out),	optional		::	hel
integer,	intent(inout),	optional		::	ncon

public subroutine generate_connected_space_kpnt(original_space_size, original_space, connected_space_size, connected_space, tSinglesOnlyOpt)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	original_space_size
integer(kind=n_int),	intent(in)			::	original_space(0:,:)
integer,	intent(inout)			::	connected_space_size
integer(kind=n_int),	intent(out),	optional		::	connected_space(0:,:)
logical,	intent(in),	optional		::	tSinglesOnlyOpt

public subroutine generate_connection_kpnt(nI, ilutI, nJ, ilutJ, ex_flag, tAllExcitFound, nStore, excit_gen, hel, ncon)

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer,	intent(out)			::	nJ(nel)
integer(kind=n_int),	intent(out)			::	ilutJ(0:NIfTot)
integer,	intent(inout)			::	ex_flag
logical,	intent(inout)			::	tAllExcitFound
integer,	intent(inout)			::	nStore(6)
integer,	intent(inout)			::	excit_gen(:)
real(kind=dp),	intent(out),	optional		::	hel
integer,	intent(inout),	optional		::	ncon