guga_crude_approx_mod Module

Uses

Contents

Subroutines

create_crude_guga_single create_crude_guga_double create_crude_single create_crude_double create_random_spin_orbs pick_orbitals_single_crude perform_crude_excitation pick_random_4ind gen_crude_guga_single_1 gen_crude_guga_single_2 gen_crude_guga_single_3

Subroutines

public subroutine create_crude_guga_single(ilut, nI, csf_i, exc, pgen, excitInfo_in)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:nifguga)
integer,	intent(in)			::	nI(nel)
type(CSF_Info_t),	intent(in)			::	csf_i
integer(kind=n_int),	intent(out)			::	exc(0:nifguga)
real(kind=dp),	intent(out)			::	pgen
type(ExcitationInformation_t),	intent(in),	optional		::	excitInfo_in

public subroutine create_crude_guga_double(ilut, nI, csf_i, exc, pgen, excitInfo_in)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:nifguga)
integer,	intent(in)			::	nI(nel)
type(CSF_Info_t),	intent(in)			::	csf_i
integer(kind=n_int),	intent(out)			::	exc(0:nifguga)
real(kind=dp),	intent(out)			::	pgen
type(ExcitationInformation_t),	intent(in),	optional		::	excitInfo_in

public subroutine create_crude_single(ilut, csf_i, exc, branch_pgen, excitInfo_in)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:nifguga)
type(CSF_Info_t),	intent(in)			::	csf_i
integer(kind=n_int),	intent(inout)			::	exc(0:nifguga)
real(kind=dp),	intent(out)			::	branch_pgen
type(ExcitationInformation_t),	intent(in),	optional		::	excitInfo_in

public subroutine create_crude_double(ilut, exc, branch_pgen, excitInfo_in)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:nifguga)
integer(kind=n_int),	intent(inout)			::	exc(0:nifguga)
real(kind=dp),	intent(out)			::	branch_pgen
type(ExcitationInformation_t),	intent(in),	optional		::	excitInfo_in

private subroutine create_random_spin_orbs(ilut, csf_i, excitInfo, elecs, orbs, pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:nifguga)
type(CSF_Info_t),	intent(in)			::	csf_i
type(ExcitationInformation_t),	intent(in)			::	excitInfo
integer,	intent(out)			::	elecs(2)
integer,	intent(out)			::	orbs(2)
real(kind=dp),	intent(out)			::	pgen

private subroutine pick_orbitals_single_crude(ilut, nI, csf_i, excitInfo, pgen)

Arguments

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

public subroutine perform_crude_excitation(ilut, csf_i, excitInfo, excitation, compFlag)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:nifguga)
type(CSF_Info_t),	intent(in)			::	csf_i
type(ExcitationInformation_t),	intent(in)			::	excitInfo
integer(kind=n_int),	intent(out)			::	excitation(0:nifguga)
logical,	intent(out)			::	compFlag

private subroutine pick_random_4ind(csf_i, elec_1, elec_2, orb_1, orb_2, elecs, orbs, pgen)

Arguments

Type	Intent	Optional	Attributes		Name
type(CSF_Info_t),	intent(in)			::	csf_i
integer,	intent(in)			::	elec_1
integer,	intent(in)			::	elec_2
integer,	intent(in)			::	orb_1
integer,	intent(in)			::	orb_2
integer,	intent(out)			::	elecs(2)
integer,	intent(out)			::	orbs(2)
real(kind=dp),	intent(out)			::	pgen

private subroutine gen_crude_guga_single_1(nI, csf_i, orb_i, cc_i, cum_arr)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
type(CSF_Info_t),	intent(in)			::	csf_i
integer,	intent(in)			::	orb_i
integer,	intent(in)			::	cc_i
real(kind=dp),	intent(out)			::	cum_arr(OrbClassCount(cc_i))

private subroutine gen_crude_guga_single_2(nI, csf_i, orb_i, cc_i, cum_arr)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
type(CSF_Info_t),	intent(in)			::	csf_i
integer,	intent(in)			::	orb_i
integer,	intent(in)			::	cc_i
real(kind=dp),	intent(out)			::	cum_arr(OrbClassCount(cc_i))

private subroutine gen_crude_guga_single_3(nI, csf_i, orb_i, cc_i, cum_arr)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
type(CSF_Info_t),	intent(in)			::	csf_i
integer,	intent(in)			::	orb_i
integer,	intent(in)			::	cc_i
real(kind=dp),	intent(out)			::	cum_arr(OrbClassCount(cc_i))