semi_stoch_gen Module

Uses

Contents

Subroutines

public subroutine init_semi_stochastic(core_in, tStartedFromCoreGround)

Arguments

Type	Intent	Optional	Attributes		Name
type(subspace_in)				::	core_in
logical,	intent(out)			::	tStartedFromCoreGround

private subroutine generate_space(core_in, run)

Arguments

Type	Intent	Optional	Attributes		Name
type(subspace_in)				::	core_in
integer,	intent(in)			::	run

public subroutine generate_sing_doub_guga(ilut_list, space_size, only_keep_conn)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size
logical,	intent(in)			::	only_keep_conn

public subroutine add_state_to_space(ilut, ilut_list, space_size, nI_in)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	ilut(0:NIfTot)
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size
integer,	intent(in),	optional		::	nI_in(nel)

public subroutine generate_sing_doub_determinants(ilut_list, space_size, only_keep_conn)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size
logical,	intent(in)			::	only_keep_conn

private subroutine generate_trip_determinants(ilut_list, space_size, only_keep_conn)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size
logical,	intent(in)			::	only_keep_conn

public subroutine generate_ras(ras_info, ilut_list, space_size)

Arguments

Type	Intent	Optional	Attributes		Name
type(ras_parameters),	intent(inout)			::	ras_info
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size

public subroutine generate_cas(occ_orbs, virt_orbs, ilut_list, space_size)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	occ_orbs
integer,	intent(in)			::	virt_orbs
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size

public subroutine generate_optimised_space(opt_data, tLimitSpace, ilut_list, space_size, max_space_size)

Arguments

Type	Intent	Optional	Attributes		Name
type(opt_space_data),	intent(in)			::	opt_data
logical				::	tLimitSpace
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size
integer,	intent(in),	optional		::	max_space_size

public subroutine generate_space_most_populated(target_space_size, tApproxSpace, nApproxSpace, ilut_list, space_size, run, opt_source, opt_source_size, t_opt_fast_core)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	target_space_size
logical,	intent(in)			::	tApproxSpace
integer,	intent(in)			::	nApproxSpace
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size
integer,	intent(in)			::	run
integer(kind=n_int),	intent(in),	optional		::	opt_source(0:,:)
integer(kind=n_int),	intent(in),	optional		::	opt_source_size
logical,	intent(in),	optional		::	t_opt_fast_core

public subroutine generate_space_from_file(filename, ilut_list, space_size)

Arguments

Type	Intent	Optional	Attributes		Name
character(len=255),	intent(in)			::	filename
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size

public subroutine generate_using_mp1_criterion(target_ndets, ilut_list, space_size)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	target_ndets
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size

public subroutine enumerate_sing_doub_kpnt(ex_flag, only_keep_conn, nSing, nDoub, tStore, ilut_list, space_size)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	ex_flag
logical,	intent(in)			::	only_keep_conn
integer,	intent(out)			::	nSing
integer,	intent(out)			::	nDoub
logical,	intent(in)			::	tStore
integer(kind=n_int),	intent(inout),	optional		::	ilut_list(0:,:)
integer,	intent(inout),	optional		::	space_size

public subroutine generate_fci_core(ilut_list, space_size)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size

private subroutine generate_all_conn_space(ilut_list, space_size)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(inout)			::	ilut_list(0:,:)
integer,	intent(inout)			::	space_size

public subroutine write_most_pop_core_at_end(target_space_size)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	target_space_size

public subroutine refresh_semistochastic_space()

Arguments

None

public subroutine reset_core_space()

Arguments

None

private subroutine init_var_space(rep)

Arguments

Type	Intent	Optional	Attributes		Name
type(core_space_t),	intent(in)			::	rep