PropVec_Weighted_t Derived Type

type, private, abstract, extends(SinglesGUGABase_t) :: PropVec_Weighted_t

The precomputed PropVec uniform excitation generator

Components

Type	Visibility	Attributes		Name		Initial
class(AlsoGUGA_PropertyIndexer_t),	private,	allocatable	::	indexer
logical,	public		::	use_lookup	=	.false.	Use a lookup for the prop_vec index in global_det_data.
logical,	public		::	create_lookup	=	.false.	Create and manage! the prop_vec index lookup in global_det_data.
type(AliasSampler_1D_t),	private		::	I_sampler			The shape is (n_prop_vec) -> 2 * nSpatOrbs Note To make doubly occupied orbitals more probable we have doubly the amount of spatial orbitals and treat it as if there were spin-orbitals.
type(AliasSampler_2D_t),	private		::	A_sampler			The shape is (nSpatOrbs, n_prop_vec) -> 2 * nSpatOrbs Note To make empty orbitals more probable than singly occpied ones, we have doubly the amount of spatial orbitals and treat it as if there were spin-orbitals.
procedure(get_weight_t),	private,	pointer, nopass	::	get_weight	=>	null()
type(UnoccupiedGetter_t),	private		::	unoccupied

Type-Bound Procedures

procedure(SinglesPickOrbitals_t), public, deferred :: pickOrbitals

subroutine SinglesPickOrbitals_t(this, nI, ilut, csf_i, excitInfo, pgen) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(SinglesGUGABase_t),	intent(in)			::	this
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilut(0:GugaBits%len_tot)
type(CSF_Info_t),	intent(in)			::	csf_i
type(ExcitationInformation_t),	intent(out)			::	excitInfo
real(kind=dp),	intent(out)			::	pgen

procedure(SinglesCalcPgen_t), public, deferred :: calc_pgen

function SinglesCalcPgen_t(this, nI, ilutI, csf_i, excitInfo) result(pgen) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(SinglesGUGABase_t),	intent(in)			::	this
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:GugaBits%len_tot)
type(CSF_Info_t),	intent(in)			::	csf_i
type(ExcitationInformation_t),	intent(in)			::	excitInfo

Return Value real(kind=dp)

procedure, public :: init => init_PropVec_Weighted_t

private subroutine init_PropVec_Weighted_t(this, weighting, indexer, use_lookup, create_lookup)

Arguments

Type	Intent	Optional	Attributes		Name
class(PropVec_Weighted_t),	intent(inout)			::	this
type(PropVec_PCHB_SinglesWeighting_t),	intent(in)			::	weighting
class(AlsoGUGA_PropertyIndexer_t),	intent(in)			::	indexer
logical,	intent(in)			::	use_lookup
logical,	intent(in)			::	create_lookup

procedure, public :: finalize => finalize_PropVec_Weighted_t

private subroutine finalize_PropVec_Weighted_t(this)

Arguments

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