back_spawn Module

Uses

Contents

Variables

mask_virt_ilut mask_virt_ni

Functions

check_electron_location check_electron_location_spatial check_orbital_location check_orbital_location_spatial is_in_ref is_in_ref_spatial is_in_virt_mask is_in_virt_mask_spatial is_allowed_ueg_k_vector

Subroutines

init_back_spawn setup_virtual_mask encode_mask_virt pick_virtual_electrons_double pick_occupied_orbital_single pick_occupied_orbital_hubbard pick_occupied_orbital_ueg pick_occupied_orbital pick_second_occupied_orbital pick_virtual_electrons_double_hubbard pick_virtual_electron_single

Variables

Type	Visibility	Attributes		Name		Initial
integer(kind=n_int),	public,	allocatable	::	mask_virt_ilut(:,:)
integer,	public,	allocatable	::	mask_virt_ni(:,:)

Functions

public function check_electron_location(src, ic, part_type) result(loc)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	src(2)
integer,	intent(in)			::	ic
integer,	intent(in)			::	part_type

Return Value integer

public function check_electron_location_spatial(orbs, ic, part_type) result(loc)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	orbs(2)
integer,	intent(in)			::	ic
integer,	intent(in)			::	part_type

Return Value integer

public function check_orbital_location(src, ic, part_type) result(loc)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	src(2)
integer,	intent(in)			::	ic
integer,	intent(in)			::	part_type

Return Value integer

public function check_orbital_location_spatial(orbs, ic, part_type) result(loc)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	orbs(2)
integer,	intent(in)			::	ic
integer,	intent(in)			::	part_type

Return Value integer

public function is_in_ref(orb, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	orb
integer,	intent(in),	optional		::	part_type

Return Value logical

private function is_in_ref_spatial(orb, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	orb
integer,	intent(in),	optional		::	part_type

Return Value logical

public function is_in_virt_mask(orb, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	orb
integer,	intent(in),	optional		::	part_type

Return Value logical

private function is_in_virt_mask_spatial(orb, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	orb
integer,	intent(in),	optional		::	part_type

Return Value logical

public function is_allowed_ueg_k_vector(orbi, orbj, orba) result(is_allowed)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	orbi
integer,	intent(in)			::	orbj
integer,	intent(in)			::	orba

Return Value logical

Subroutines

public subroutine init_back_spawn()

Arguments

None

public subroutine setup_virtual_mask()

Arguments

None

public pure subroutine encode_mask_virt(nI, ilut)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nBasis-nel)
integer(kind=n_int),	intent(out)			::	ilut(0:niftot)

public subroutine pick_virtual_electrons_double(nI, part_type, elecs, src, ispn, sum_ml, pgen, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(in)			::	part_type
integer,	intent(out)			::	elecs(2)
integer,	intent(out)			::	src(2)
integer,	intent(out)			::	ispn
integer,	intent(out)			::	sum_ml
real(kind=dp),	intent(out)			::	pgen
logical,	intent(in),	optional		::	calc_pgen

public subroutine pick_occupied_orbital_single(ilut, src, cc_index, part_type, pgen, orb, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:niftot)
integer,	intent(in)			::	src
integer,	intent(in)			::	cc_index
integer,	intent(in)			::	part_type
real(kind=dp),	intent(out)			::	pgen
integer,	intent(out)			::	orb
logical,	intent(in),	optional		::	calc_pgen

public subroutine pick_occupied_orbital_hubbard(ilutI, part_type, pgen, orb, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(in)			::	part_type
real(kind=dp),	intent(out)			::	pgen
integer,	intent(out)			::	orb
logical,	intent(in),	optional		::	calc_pgen

public subroutine pick_occupied_orbital_ueg(ilutI, src, ispn, part_type, cpt, cum_sum, orb, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(in)			::	src(2)
integer,	intent(in)			::	ispn
integer,	intent(in)			::	part_type
real(kind=dp),	intent(out)			::	cpt
real(kind=dp),	intent(out)			::	cum_sum
integer,	intent(out)			::	orb
logical,	intent(in),	optional		::	calc_pgen

public subroutine pick_occupied_orbital(ilutI, src, ispn, part_type, cpt, cum_sum, orb, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(in)			::	src(2)
integer,	intent(in)			::	ispn
integer,	intent(in)			::	part_type
real(kind=dp),	intent(out)			::	cpt
real(kind=dp),	intent(out)			::	cum_sum
integer,	intent(out)			::	orb
logical,	intent(in),	optional		::	calc_pgen

public subroutine pick_second_occupied_orbital(ilutI, cc_b, orb_a, ispn, part_type, cpt, cum_sum, orb, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(in)			::	cc_b
integer,	intent(in)			::	orb_a
integer,	intent(in)			::	ispn
integer,	intent(in)			::	part_type
real(kind=dp),	intent(out)			::	cpt
real(kind=dp),	intent(out)			::	cum_sum
integer,	intent(out)			::	orb
logical,	intent(in),	optional		::	calc_pgen

public subroutine pick_virtual_electrons_double_hubbard(nI, part_type, elecs, src, ispn, pgen, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(in)			::	part_type
integer,	intent(out)			::	elecs(2)
integer,	intent(out)			::	src(2)
integer,	intent(out)			::	ispn
real(kind=dp),	intent(out)			::	pgen
logical,	intent(in),	optional		::	calc_pgen

public subroutine pick_virtual_electron_single(nI, part_type, elec, pgen_elec, calc_pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(in)			::	part_type
integer,	intent(out)			::	elec
real(kind=dp),	intent(out)			::	pgen_elec
logical,	intent(in),	optional		::	calc_pgen