procedure_pointers Module

Contents

Variables

generate_excitation generate_two_body_excitation generate_single_excit attempt_create get_spawn_helement get_conn_helement encode_child attempt_die extract_bit_rep_avsign fill_rdm_diag_currdet get_umat_el get_umat_el_secondary scaleFunction shiftFactorFunction gen_all_excits shiftScaleFunction

Abstract Interfaces

attempt_create_t get_spawn_helement_t attempt_die_t get_umat_el_t get_lmat_el_t scale_function_t lMatInd_t shift_factor_function_t generate_excitation_t generate_single_excit_t encode_child_t extract_bit_rep_avsign_t fill_rdm_diag_currdet_t generate_all_excits_t

Variables

Type	Visibility	Attributes		Name		Initial
procedure(generate_excitation_t),	public,	pointer	::	generate_excitation	=>	null()
procedure(generate_excitation_t),	public,	pointer	::	generate_two_body_excitation	=>	null()
procedure(generate_single_excit_t),	public,	pointer	::	generate_single_excit	=>	null()
procedure(attempt_create_t),	public,	pointer	::	attempt_create	=>	null()
procedure(get_spawn_helement_t),	public,	pointer	::	get_spawn_helement	=>	null()
procedure(get_spawn_helement_t),	public,	pointer	::	get_conn_helement	=>	null()
procedure(encode_child_t),	public,	pointer	::	encode_child	=>	null()
procedure(attempt_die_t),	public,	pointer	::	attempt_die	=>	null()
procedure(extract_bit_rep_avsign_t),	public,	pointer	::	extract_bit_rep_avsign	=>	null()
procedure(fill_rdm_diag_currdet_t),	public,	pointer	::	fill_rdm_diag_currdet	=>	null()
procedure(get_umat_el_t),	public,	pointer	::	get_umat_el	=>	null()
procedure(get_umat_el_t),	public,	pointer	::	get_umat_el_secondary	=>	null()
procedure(scale_function_t),	public,	pointer	::	scaleFunction	=>	null()
procedure(shift_factor_function_t),	public,	pointer	::	shiftFactorFunction	=>	null()
procedure(generate_all_excits_t),	public,	pointer	::	gen_all_excits	=>	null()
procedure(scale_function_t),	public,	pointer	::	shiftScaleFunction	=>	null()

Abstract Interfaces

abstract interface

public function attempt_create_t(nI, ilutI, wSign, nJ, ilutJ, prob, HElGen, ic, ex, tPar, exLevel, part_type, AvSignCurr, AvExPerWalker, RDMBiasFacCurr, precond_fac) result(child)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:NifTot)
real(kind=dp),	intent(in)			::	wSign(lenof_sign)
integer,	intent(in)			::	nJ(nel)
integer(kind=n_int),	intent(inout)			::	ilutJ(0:NifTot)
real(kind=dp),	intent(inout)			::	prob
real(kind=dp),	intent(inout)			::	HElGen
integer,	intent(in)			::	ic
integer,	intent(in)			::	ex(2,ic)
logical,	intent(in)			::	tPar
integer,	intent(in)			::	exLevel
integer,	intent(in)			::	part_type
real(kind=dp),	intent(in),		dimension(lenof_sign)	::	AvSignCurr
real(kind=dp),	intent(in)			::	AvExPerWalker
real(kind=dp),	intent(out)			::	RDMBiasFacCurr
real(kind=dp),	intent(in)			::	precond_fac

Return Value real(kind=dp), (lenof_sign)

abstract interface

public function get_spawn_helement_t(nI, nJ, ilutI, ilutJ, ic, ex, tParity, HElGen) result(hel)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(in)			::	nJ(nel)
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer(kind=n_int),	intent(in)			::	ilutJ(0:NIfTot)
integer,	intent(in)			::	ic
integer,	intent(in)			::	ex(2,ic)
logical,	intent(in)			::	tParity
real(kind=dp),	intent(in)			::	HElGen

Return Value real(kind=dp)

abstract interface

public function attempt_die_t(nI, Kii, wSign, exLevel, DetPosition) result(ndie)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
real(kind=dp),	intent(in)			::	Kii
real(kind=dp),	intent(in)			::	wSign(lenof_sign)
integer,	intent(in)			::	exLevel
integer,	intent(in),	optional		::	DetPosition

Return Value real(kind=dp), dimension(lenof_sign)

abstract interface

public pure function get_umat_el_t(i, j, k, l) result(hel)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l

Return Value real(kind=dp)

abstract interface

public function get_lmat_el_t(a, b, c, i, j, k) result(hel)

Arguments

Type	Intent	Optional	Attributes		Name
integer,			value	::	a
integer,			value	::	b
integer,			value	::	c
integer,			value	::	i
integer,			value	::	j
integer,			value	::	k

Return Value real(kind=dp)

abstract interface

public pure function scale_function_t(hdiag) result(Si)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	hdiag

Return Value real(kind=dp)

abstract interface

public pure function lMatInd_t(a, b, c, i, j, k) result(index)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in),		value	::	a
integer(kind=int64),	intent(in),		value	::	b
integer(kind=int64),	intent(in),		value	::	c
integer(kind=int64),	intent(in),		value	::	i
integer(kind=int64),	intent(in),		value	::	j
integer(kind=int64),	intent(in),		value	::	k

Return Value integer(kind=int64)

abstract interface

public pure function shift_factor_function_t(pos, run, pop) result(f)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	pos
integer,	intent(in)			::	run
real(kind=dp),	intent(in)			::	pop

Return Value real(kind=dp)

abstract interface

public subroutine generate_excitation_t(nI, ilutI, nJ, ilutJ, exFlag, ic, ex, tParity, pGen, hel, 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)			::	tParity
real(kind=dp),	intent(out)			::	pGen
real(kind=dp),	intent(out)			::	hel
type(excit_gen_store_type),	intent(inout),		target	::	store
integer,	intent(in),	optional		::	part_type

abstract interface

public subroutine generate_single_excit_t(nI, ilutI, nJ, ilutJ, ex, tpar, store, 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)
integer,	intent(out)			::	ex(2,maxExcit)
logical,	intent(out)			::	tpar
type(excit_gen_store_type),	intent(inout),		target	::	store
real(kind=dp),	intent(out)			::	pGen

abstract interface

public subroutine encode_child_t(ilutI, ilutJ, ic, ex)

Arguments

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

abstract interface

public subroutine extract_bit_rep_avsign_t(rdm_defs, ilutI, j, nI, SignI, FlagsI, IterRDMStartI, AvSignI, store)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(in)			::	rdm_defs
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer,	intent(in)			::	j
integer,	intent(out)			::	nI(nel)
real(kind=dp),	intent(out)			::	SignI(lenof_sign)
integer,	intent(out)			::	FlagsI
real(kind=dp),	intent(out)			::	IterRDMStartI(len_iter_occ_tot)
real(kind=dp),	intent(out)			::	AvSignI(len_av_sgn_tot)
type(excit_gen_store_type),	intent(inout),	optional		::	store

abstract interface

public subroutine fill_rdm_diag_currdet_t(spawn, one_rdms, ilutI, nI, ExcitLevelI, av_sign, iter_occ, tCoreSpaceDet, tLC)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_spawn_t),	intent(inout)			::	spawn
type(one_rdm_t),	intent(inout)			::	one_rdms(:)
integer(kind=n_int),	intent(in)			::	ilutI(0:NIfTot)
integer,	intent(in)			::	nI(nel)
integer,	intent(in)			::	ExcitLevelI
real(kind=dp),	intent(in)			::	av_sign(:)
real(kind=dp),	intent(in)			::	iter_occ(:)
logical,	intent(in),	optional		::	tCoreSpaceDet
logical,	intent(in),	optional		::	tLC

abstract interface

public subroutine generate_all_excits_t(nI, n_excits, det_list)

Generate all excitations for a given determinant in the ilut Format

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	nI(nel)
integer,	intent(out)			::	n_excits
integer(kind=n_int),	intent(out),		allocatable	::	det_list(:,:)