DoublesGUGABase_t Derived Type

type, public, abstract, extends(Finalizable_t) :: DoublesGUGABase_t

Type-Bound Procedures

procedure(BoundFinalize_t), public, deferred :: finalize

subroutine BoundFinalize_t(this) Prototype

Arguments

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

procedure(DoublesPickOrbitals_t), public, deferred :: pickOrbitals

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

Arguments

Type	Intent	Optional	Attributes		Name
class(DoublesGUGABase_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(DoublesCalcPgen_t), public, deferred :: calc_pgen

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

Arguments

Type	Intent	Optional	Attributes		Name
class(DoublesGUGABase_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(DoublesCalcOrbitalPgenContr_t), public, deferred :: calc_orbital_pgen_contr_start

subroutine DoublesCalcOrbitalPgenContr_t(this, nI, ilut, csf_i, occ_orbs, orb_a, orb_pgen) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(DoublesGUGABase_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
integer,	intent(in)			::	occ_orbs(2)
integer,	intent(in)			::	orb_a
real(kind=dp),	intent(out)			::	orb_pgen

procedure(DoublesCalcOrbitalPgenContr_t), public, deferred :: calc_orbital_pgen_contr_end

subroutine DoublesCalcOrbitalPgenContr_t(this, nI, ilut, csf_i, occ_orbs, orb_a, orb_pgen) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(DoublesGUGABase_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
integer,	intent(in)			::	occ_orbs(2)
integer,	intent(in)			::	orb_a
real(kind=dp),	intent(out)			::	orb_pgen

procedure(Doublescalc_orbital_pgen_contr_t), public, deferred :: calc_orbital_pgen_contr

subroutine Doublescalc_orbital_pgen_contr_t(this, nI, ilut, csf_i, occ_orbs, above_cpt, below_cpt) Prototype

Arguments

Type	Intent	Optional	Attributes		Name
class(DoublesGUGABase_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
integer,	intent(in)			::	occ_orbs(2)
real(kind=dp),	intent(out)			::	above_cpt
real(kind=dp),	intent(out)			::	below_cpt

procedure(Doubles_gen_all_distinct_doubles_t), public, deferred :: gen_all_distinct

pure function Doubles_gen_all_distinct_doubles_t(this, csf_i, sort_fused_key) result(res) Prototype

This function returns all possible excitations for the orbital picker

This means it considers only occupation, not spin recoupling.

Arguments

Type	Intent	Optional	Attributes		Name
class(DoublesGUGABase_t),	intent(in)			::	this
type(CSF_Info_t),	intent(in)			::	csf_i
logical,	intent(in),	optional		::	sort_fused_key	The fused index of the excitations should be sorted.

Return Value type(DistinctDouble_t), allocatable, (:)