ueg_excit_gens Module

Uses

Contents

Functions

calc_pgen_ueg

Subroutines

gen_ueg_excit gen_double_ueg pick_uniform_elecs create_ab_list_ueg create_ab_list_ua

Functions

public function calc_pgen_ueg(ilutI, ex, ic) result(pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(in)			::	ex(2,2)
integer,	intent(in)			::	ic

Return Value real(kind=dp)

Subroutines

public subroutine gen_ueg_excit(nI, ilutI, nJ, ilutJ, exFlag, ic, ex, tPar, pgen, HelGen, store, part_type)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer,	intent(out)			::	nJ(nel)
integer(kind=n_int),	intent(out)			::	ilutJ(0:NIfTot)
integer,	intent(in)			::	exFlag
integer,	intent(out)			::	ic
integer,	intent(out)			::	ex(2,maxExcit)
logical,	intent(out)			::	tPar
real(kind=dp),	intent(out)			::	pgen
real(kind=dp),	intent(out)			::	HelGen
type(excit_gen_store_type),	intent(inout),		target	::	store
integer,	intent(in),	optional		::	part_type

public subroutine gen_double_ueg(nI, ilutI, nJ, ilutJ, tPar, ex, pgen)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(out)			::	nJ(nel)
integer(kind=n_int),	intent(out)			::	ilutJ(0:niftot)
logical,	intent(out)			::	tPar
integer,	intent(out)			::	ex(2,maxExcit)
real(kind=dp),	intent(out)			::	pgen

public subroutine pick_uniform_elecs(elecs, pelec)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(out)			::	elecs(2)
real(kind=dp),	intent(out)			::	pelec

public subroutine create_ab_list_ueg(ilutI, src, cum_arr, cum_sum)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(in)			::	src(2)
real(kind=dp),	intent(out)			::	cum_arr(nbasis)
real(kind=dp),	intent(out)			::	cum_sum

public subroutine create_ab_list_ua(nI, ilutI, src, cum_arr, cum_sum)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:niftot)
integer,	intent(in)			::	src(2)
real(kind=dp),	intent(out)			::	cum_arr(nbasis)
real(kind=dp),	intent(out)			::	cum_sum