rdm_data_utils Module

Uses

Contents

Subroutines

Subroutines

public subroutine init_rdm_list_t(rdm, sign_length, max_nelements, nhashes)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(out)			::	rdm
integer,	intent(in)			::	sign_length
integer,	intent(in)			::	max_nelements
integer,	intent(in)			::	nhashes

public subroutine init_rdm_spawn_t(spawn, nrows, sign_length, max_nelements_send, nhashes)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_spawn_t),	intent(out)			::	spawn
integer,	intent(in)			::	nrows
integer,	intent(in)			::	sign_length
integer,	intent(in)			::	max_nelements_send
integer,	intent(in)			::	nhashes

public subroutine init_en_pert_t(en_pert, sign_length, max_ndets, nhashes)

Arguments

Type	Intent	Optional	Attributes		Name
type(en_pert_t),	intent(out)			::	en_pert
integer,	intent(in)			::	sign_length
integer,	intent(in)			::	max_ndets
integer,	intent(in)			::	nhashes

public subroutine init_one_rdm_t(one_rdm, norbs)

Arguments

Type	Intent	Optional	Attributes		Name
type(one_rdm_t),	intent(out)			::	one_rdm
integer,	intent(in)			::	norbs

public subroutine init_rdm_definitions_t(rdm_defs, nrdms_standard, nrdms_transition, states_for_transition_rdm, filename)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_definitions_t),	intent(out)			::	rdm_defs
integer,	intent(in)			::	nrdms_standard
integer,	intent(in)			::	nrdms_transition
integer,	intent(in),		allocatable	::	states_for_transition_rdm(:,:)
character(len=*),	intent(in),	optional		::	filename

public subroutine dealloc_rdm_list_t(rdm)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(inout)			::	rdm

public subroutine dealloc_rdm_spawn_t(spawn)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_spawn_t),	intent(inout)			::	spawn

public subroutine dealloc_en_pert_t(en_pert)

Arguments

Type	Intent	Optional	Attributes		Name
type(en_pert_t),	intent(inout)			::	en_pert

public subroutine dealloc_one_rdm_t(one_rdm)

Arguments

Type	Intent	Optional	Attributes		Name
type(one_rdm_t),	intent(inout)			::	one_rdm

public pure subroutine clear_rdm_list_t(rdm)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(inout)			::	rdm

public pure subroutine clear_one_rdms(one_rdms)

Arguments

Type	Intent	Optional	Attributes		Name
type(one_rdm_t),	intent(inout)			::	one_rdms(:)

public pure subroutine calc_combined_rdm_label(i, j, k, l, ijkl, ij_out, kl_out)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l
integer(kind=int_rdm),	intent(out)			::	ijkl
integer,	intent(out),	optional		::	ij_out
integer,	intent(out),	optional		::	kl_out

public pure subroutine calc_separate_rdm_labels(ijkl, ij, kl, i, j, k, l)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int_rdm),	intent(in)			::	ijkl
integer,	intent(out)			::	ij
integer,	intent(out)			::	kl
integer,	intent(out)			::	i
integer,	intent(out)			::	j
integer,	intent(out)			::	k
integer,	intent(out)			::	l

public pure subroutine extract_sign_rdm(rdm_entry, real_sign)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int_rdm),	intent(in)			::	rdm_entry(0:)
real(kind=dp),	intent(out)			::	real_sign(size(rdm_entry)-1)

public pure subroutine encode_sign_rdm(rdm_entry, real_sign)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int_rdm),	intent(inout)			::	rdm_entry(0:)
real(kind=dp),	intent(in)			::	real_sign(1:size(rdm_entry)-1)

public pure subroutine extract_sign_EN(sign_length, ilut, real_sign)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	sign_length
integer(kind=n_int),	intent(in)			::	ilut(0:)
real(kind=dp),	intent(out)			::	real_sign(sign_length)

public pure subroutine encode_sign_EN(sign_length, ilut, real_sign)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	sign_length
integer(kind=n_int),	intent(inout)			::	ilut(0:)
real(kind=dp),	intent(in)			::	real_sign(sign_length)

public subroutine add_to_rdm_spawn_t(spawn, i, j, k, l, contrib_sign, spinfree, nearly_full)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_spawn_t),	intent(inout)			::	spawn
integer,	intent(in)			::	i
integer,	intent(in)			::	j
integer,	intent(in)			::	k
integer,	intent(in)			::	l
real(kind=dp),	intent(in)			::	contrib_sign(spawn%rdm_send%sign_length)
logical,	intent(in)			::	spinfree
logical,	intent(inout),	optional		::	nearly_full

public subroutine communicate_rdm_spawn_t(spawn, rdm_recv)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_spawn_t),	intent(inout)			::	spawn
type(rdm_list_t),	intent(inout)			::	rdm_recv

public subroutine communicate_rdm_spawn_t_wrapper(spawn, rdm_recv, finished, all_finished)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_spawn_t),	intent(inout)			::	spawn
type(rdm_list_t),	intent(inout),	optional		::	rdm_recv
logical,	intent(in)			::	finished
logical,	intent(inout)			::	all_finished

public subroutine try_rdm_list_realloc(rdm_recv, new_nelements, recv_list)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(inout)			::	rdm_recv
integer,	intent(in)			::	new_nelements
logical,	intent(in)			::	recv_list

public subroutine try_rdm_spawn_realloc(spawn, proc, spinfree)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_spawn_t),	intent(inout)			::	spawn
integer,	intent(in)			::	proc
logical,	intent(in)			::	spinfree

public subroutine add_rdm_1_to_rdm_2(rdm_1, rdm_2, scale_factor)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(in)			::	rdm_1
type(rdm_list_t),	intent(inout)			::	rdm_2
real(kind=dp),	intent(in),	optional		::	scale_factor

public subroutine scale_rdm(rdm, scale_factor)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(inout)			::	rdm
real(kind=dp)				::	scale_factor(rdm%sign_length)

public subroutine annihilate_rdm_list(rdm)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(inout)			::	rdm

public subroutine add_to_en_pert_t(en_pert, nI, ilut, contrib_sign)

Arguments

Type	Intent	Optional	Attributes		Name
type(en_pert_t),	intent(inout)			::	en_pert
integer,	intent(in)			::	nI(nel)
integer(kind=n_int),	intent(in)			::	ilut(0:NIfTot)
real(kind=dp),	intent(in)			::	contrib_sign(en_pert%sign_length)

public subroutine calc_rdm_trace(rdm, rdm_trace)

Arguments

Type	Intent	Optional	Attributes		Name
type(rdm_list_t),	intent(in)			::	rdm
real(kind=dp),	intent(out)			::	rdm_trace(rdm%sign_length)