PropVec_PCHB_ExcGenerator_t Derived Type

type, public, extends(AbInitGUGABase_t) :: PropVec_PCHB_ExcGenerator_t

Components

Type	Visibility	Attributes		Name		Initial
class(SinglesGUGABase_t),	public,	allocatable	::	singles_generator
class(DoublesGUGABase_t),	public,	allocatable	::	doubles_generator

Type-Bound Procedures

procedure, public :: pickOrbitals_single => AbInitGUGABase_t_pickOrbitals_single

private subroutine AbInitGUGABase_t_pickOrbitals_single(this, nI, ilut, csf_i, excitInfo, pgen)

Arguments

Type	Intent	Optional	Attributes		Name
class(AbInitGUGABase_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, public :: pickOrbitals_double => AbInitGUGABase_t_pickOrbitals_double

private subroutine AbInitGUGABase_t_pickOrbitals_double(this, nI, ilut, csf_i, excitInfo, pgen)

Arguments

Type	Intent	Optional	Attributes		Name
class(AbInitGUGABase_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, public :: calc_orbital_pgen_contr_start => AbInitGUGABase_t_calc_orbital_pgen_contr_start

private subroutine AbInitGUGABase_t_calc_orbital_pgen_contr_start(this, nI, ilut, csf_i, occ_orbs, orb_a, orb_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
class(AbInitGUGABase_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, public :: calc_orbital_pgen_contr_end => AbInitGUGABase_t_calc_orbital_pgen_contr_end

private subroutine AbInitGUGABase_t_calc_orbital_pgen_contr_end(this, nI, ilut, csf_i, occ_orbs, orb_a, orb_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
class(AbInitGUGABase_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, public :: calc_orbital_pgen_contr => AbInitGUGABase_t_calc_orbital_pgen_contr

private subroutine AbInitGUGABase_t_calc_orbital_pgen_contr(this, nI, ilut, csf_i, occ_orbs, above_cpt, below_cpt)

Arguments

Type	Intent	Optional	Attributes		Name
class(AbInitGUGABase_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, public :: calc_pgen => AbInitGUGABase_t_calc_pgen

private function AbInitGUGABase_t_calc_pgen(this, nI, ilutI, csf_i, excitInfo) result(pgen)

Arguments

Type	Intent	Optional	Attributes		Name
class(AbInitGUGABase_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

private subroutine init(this, indexer, options)

Initialize the PCHB excitation generator.

Arguments

Type	Intent	Optional	Attributes		Name
class(PropVec_PCHB_ExcGenerator_t),	intent(inout)			::	this
class(AlsoGUGA_PropertyIndexer_t),	intent(in)			::	indexer	The PropVec specifications for the excitation generator.
type(PropVec_PCHB_options_t),	intent(in)			::	options

procedure, public :: finalize

private subroutine finalize(this)

Arguments

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