UnoccupiedGetter_t Derived Type

type, public :: UnoccupiedGetter_t

This class efficiently returns unoccupied orbitals from an ilut-bitmask.

Components

Type	Visibility	Attributes		Name		Initial
integer(kind=n_int),	private		::	last_possible_occupied			The last element of the ilut array has some elements which are not used, if the number of spinorbitals is not a multiple of bitsize_n_int. To correctly zero them this bitmask is 1 wherever a determinant could be occupied in the last element, and 0 otherwise.

Constructor

public interface UnoccupiedGetter_t

private elemental function construct_UnoccupiedGetter_t(nBasis) result(res)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nBasis

Return Value type(UnoccupiedGetter_t)

Type-Bound Procedures

procedure, public :: get => get_UnoccupiedGetter_t

private pure subroutine get_UnoccupiedGetter_t(this, ilutI, ilut_unoccupied, unoccupied)

Return a bitmask and enumeration of the unoccupied spin orbitals.

Arguments

Type	Intent	Optional	Attributes		Name
class(UnoccupiedGetter_t),	intent(in)			::	this
integer(kind=n_int),	intent(in)			::	ilutI(0:nIfD)
integer(kind=n_int),	intent(out)			::	ilut_unoccupied(0:nIfD)
integer,	intent(out)			::	unoccupied(nBasis-nEl)