symrandexcit_Ex_mag Module

Uses

Contents

Functions

gen_double gen_single

Subroutines

gen_rand_excit_Ex_mag select_spin_diff pick_likespin_elec_pair test_sym_excit_ExMag

Functions

public function gen_double(nI, nJ, ExcitMat, tParity, store, excitType) result(pGen)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(out)			::	nJ(nel)
integer,	intent(out)			::	ExcitMat(2,maxExcit)
logical,	intent(out)			::	tParity
type(excit_gen_store_type),	intent(inout),		target	::	store
integer,	intent(in)			::	excitType

Return Value real(kind=dp)

public function gen_single(nI, nJ, ExcitMat, tParity, store, excitType) result(pGen)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(out)			::	nJ(nel)
integer,	intent(out)			::	ExcitMat(2,maxExcit)
logical,	intent(out)			::	tParity
type(excit_gen_store_type),	intent(inout),		target	::	store
integer,	intent(inout)			::	excitType

Return Value real(kind=dp)

Subroutines

public subroutine gen_rand_excit_Ex_mag(nI, ilutI, nJ, ilutJ, exFlag, IC, ExcitMat, tParity, 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)			::	ExcitMat(2,maxExcit)
logical,	intent(out)			::	tParity
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 select_spin_diff(excitType, IC)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(inout)			::	excitType
integer,	intent(inout)			::	IC

public subroutine pick_likespin_elec_pair(elecs, sym_prod, spn, nPairs, store)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(out)			::	elecs(2)
integer,	intent(out)			::	sym_prod
integer,	intent(out)			::	spn(2)
integer,	intent(out)			::	nPairs
type(excit_gen_store_type),	intent(inout),		target	::	store

public subroutine test_sym_excit_ExMag(nI, Iterations)

CALL ChangeVars(tDummy,tSoftExitFound,tDummy2) IF(tSoftExitFound) EXIT

Arguments

Type	Intent	Optional	Attributes		Name
integer				::	nI(NEl)
integer				::	Iterations