guga_pchb_singles_weights_mod Module

Uses

Variables

Type	Visibility	Attributes		Name		Initial
type(PropVec_PCHB_SinglesWeighting_vals_t),	private,	parameter	::	weighting_vals	=	PropVec_PCHB_SinglesWeighting_vals_t()

Abstract Interfaces

abstract interface

public function get_weight_t(i, a)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i	Spatial orbital index
integer,	intent(in)			::	a	Spatial orbital index

Return Value real(kind=dp)

Derived Types

type, public, extends(EnumBase_t) :: PropVec_PCHB_SinglesWeighting_t

Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	val
character(len=20),	public		::	str

Type-Bound Procedures

generic, public :: operator(==) => eq_EnumBase_t
generic, public :: operator(/=) => neq_EnumBase_t
procedure, public :: to_str

type, public :: PropVec_PCHB_SinglesWeighting_vals_t

Components

Type	Visibility	Attributes		Name		Initial
type(PropVec_PCHB_SinglesWeighting_t),	public		::	UNIFORM	=	PropVec_PCHB_SinglesWeighting_t(1, 'UNIFORM')
type(PropVec_PCHB_SinglesWeighting_t),	public		::	ABS_INTEGRAL	=	PropVec_PCHB_SinglesWeighting_t(2, 'ABS-INTEGRAL')
type(PropVec_PCHB_SinglesWeighting_t),	public		::	RHF_EXPR	=	PropVec_PCHB_SinglesWeighting_t(3, 'RHF-EXPRESSION')

Type-Bound Procedures

procedure, public, nopass :: from_str => weight_from_str

Functions

private elemental function weight_from_str(str) result(res)

Arguments

Type	Intent	Optional	Attributes		Name
character(len=*),	intent(in)			::	str

Return Value type(PropVec_PCHB_SinglesWeighting_t)

private pure function get_weight_uniform(i, a) result(weight)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i	Spatial orbital index
integer,	intent(in)			::	a	Spatial orbital index

Return Value real(kind=dp)

private pure function get_weight_abs_integral(i, a) result(weight)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i	Spatial orbital index
integer,	intent(in)			::	a	Spatial orbital index

Return Value real(kind=dp)

private pure function get_weight_RHF_expr(i, a) result(weight)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i	Spatial orbital index
integer,	intent(in)			::	a	Spatial orbital index

Return Value real(kind=dp)

private pure function to_str(weighting) result(res)

Arguments

Type	Intent	Optional	Attributes		Name
class(PropVec_PCHB_SinglesWeighting_t),	intent(in)			::	weighting

Return Value character(len=:), allocatable

Subroutines

public subroutine set_get_weight_pointer(weight_choice, ptr)

Arguments

Type	Intent	Optional	Attributes		Name
type(PropVec_PCHB_SinglesWeighting_t),	intent(in)			::	weight_choice
procedure(get_weight_t),	intent(out),		pointer	::	ptr