exc_gen_class_wrappers Module

Uses

Contents

Derived Types

UniformSingles_t WeightedSingles_t

Functions

UniformSingles_get_pgen WeightedSingles_get_pgen

Subroutines

UniformSingles_gen_exc UniformSingles_do_nothing WeightedSingles_gen_exc WeightedSingles_do_nothing

Derived Types

type, public, extends(FCISingleExcitationGenerator_t) :: UniformSingles_t

Type-Bound Procedures

procedure , public :: gen_all_excits => FCI_singles_gen_all_excits Subroutine
procedure , public :: gen_exc => UniformSingles_gen_exc Subroutine
procedure , public :: get_pgen => UniformSingles_get_pgen Function
procedure , public :: finalize => UniformSingles_do_nothing Subroutine

type, public, extends(FCISingleExcitationGenerator_t) :: WeightedSingles_t

Type-Bound Procedures

procedure , public :: gen_all_excits => FCI_singles_gen_all_excits Subroutine
procedure , public :: gen_exc => WeightedSingles_gen_exc Subroutine
procedure , public :: get_pgen => WeightedSingles_get_pgen Function
procedure , public :: finalize => WeightedSingles_do_nothing Subroutine

Functions

private function UniformSingles_get_pgen(this, nI, ilutI, ex, ic, ClassCount2, ClassCountUnocc2) result(pgen)

Arguments

Type	Intent	Optional	Attributes		Name
class(UniformSingles_t),	intent(inout)			::	this
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer,	intent(in)			::	ex(2,maxExcit)
integer,	intent(in)			::	ic
integer,	intent(in)			::	ClassCount2(ScratchSize)
integer,	intent(in)			::	ClassCountUnocc2(ScratchSize)

Return Value real(kind=dp)

private function WeightedSingles_get_pgen(this, nI, ilutI, ex, ic, ClassCount2, ClassCountUnocc2) result(pgen)

Arguments

Type	Intent	Optional	Attributes		Name
class(WeightedSingles_t),	intent(inout)			::	this
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer,	intent(in)			::	ex(2,maxExcit)
integer,	intent(in)			::	ic
integer,	intent(in)			::	ClassCount2(ScratchSize)
integer,	intent(in)			::	ClassCountUnocc2(ScratchSize)

Return Value real(kind=dp)

Subroutines

private subroutine UniformSingles_gen_exc(this, nI, ilutI, nJ, ilutJ, exFlag, ic, ex, tParity, pGen, hel, store, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
class(UniformSingles_t),	intent(inout)			::	this
integer,	intent(in)			::	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(in)			::	exFlag
integer,	intent(out)			::	ic
integer,	intent(out)			::	ex(2,maxExcit)
logical,	intent(out)			::	tParity
real(kind=dp),	intent(out)			::	pGen
real(kind=dp),	intent(out)			::	hel
type(excit_gen_store_type),	intent(inout),		target	::	store
integer,	intent(in),	optional		::	part_type

private subroutine UniformSingles_do_nothing(this)

Arguments

Type	Intent	Optional	Attributes		Name
class(UniformSingles_t),	intent(inout)			::	this

private subroutine WeightedSingles_gen_exc(this, nI, ilutI, nJ, ilutJ, exFlag, ic, ex, tParity, pGen, hel, store, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
class(WeightedSingles_t),	intent(inout)			::	this
integer,	intent(in)			::	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(in)			::	exFlag
integer,	intent(out)			::	ic
integer,	intent(out)			::	ex(2,maxExcit)
logical,	intent(out)			::	tParity
real(kind=dp),	intent(out)			::	pGen
real(kind=dp),	intent(out)			::	hel
type(excit_gen_store_type),	intent(inout),		target	::	store
integer,	intent(in),	optional		::	part_type

private subroutine WeightedSingles_do_nothing(this)

Arguments

Type	Intent	Optional	Attributes		Name
class(WeightedSingles_t),	intent(inout)			::	this