util_mod – NECI

Uses

Interfaces

binary_search_int operator(.implies.) choose_i64 choose_i128 clamp strlen_wrap erf_local erfc_local operator(.div.) abs_sign abs_l1 fuseIndex swap custom_findloc cumsum

Derived Types

EnumBase_t

Functions

stochastic_round stochastic_round_r abs_int4_sign abs_int8_sign abs_real_sign abs_l1_sp abs_l1_dp abs_l1_csp abs_l1_cdp custom_findloc_integer_int32 custom_findloc_integer_int64 custom_findloc_real_sp custom_findloc_real_dp custom_findloc_complex_sp custom_findloc_complex_dp custom_findloc_logical_ fuseIndex_int32 fuseIndex_int64 linearIndex getSpinIndex gauss_sum get_index choose_i64_int32 choose_i128_int32 choose_i64_int64 choose_i128_int64 div_int32 div_int64 div_int128 det_int_arr_gt det_int_arr_eq binary_search_ilut binary_search_int_int32 binary_search_int_int64 binary_search_real binary_search_custom record_length get_free_unit error_function_c error_function neci_etime cumsum_integer_int32 cumsum_integer_int64 cumsum_real_sp cumsum_real_dp cumsum_complex_sp cumsum_complex_dp lex_leq lex_geq get_permutations implies eq_EnumBase_t neq_EnumBase_t clamp_integer_int32 clamp_integer_int64 clamp_real_sp clamp_real_dp

Subroutines

print_cstr_local NECI_ICOPY addToIntArray swap_int32 swap_int64 pairSwap append_ext get_unique_filename find_next_comb open_new_file

Interfaces

public interface binary_search_int

private pure function binary_search_int_int32(arr, val) result(pos)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	arr(:)
integer(kind=int32),	intent(in)			::	val

Return Value integer(kind=int64)

private pure function binary_search_int_int64(arr, val) result(pos)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	arr(:)
integer(kind=int64),	intent(in)			::	val

Return Value integer(kind=int64)

public interface operator(.implies.)

private elemental function implies(P, Q)

@brief The logical operator P => Q

@details P | Q | P => Q | ¬ P ∨ Q

T | T | T | T T | F | F | F F | T | T | T F | F | T | T

Arguments

Type	Intent	Optional	Attributes		Name
logical,	intent(in)			::	P
logical,	intent(in)			::	Q

Return Value logical

public interface choose_i64

private pure recursive function choose_i64_int32(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int32),	intent(in)		::	n
integer(kind=int32),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int64)

private pure recursive function choose_i64_int64(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int64),	intent(in)		::	n
integer(kind=int64),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int64)

public interface choose_i128

private pure recursive function choose_i128_int32(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int32),	intent(in)		::	n
integer(kind=int32),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int128)

private pure recursive function choose_i128_int64(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int64),	intent(in)		::	n
integer(kind=int64),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int128)

public interface clamp

If v compares less than lo, returns lo; otherwise if hi compares less than v, returns hi; otherwise returns v. Is also defined for lo > hi!

private elemental function clamp_integer_int32(v, lo, hi) result(res)

Arguments

Type	Intent		Name
integer(kind=int32),	intent(in)	::	v
integer(kind=int32),	intent(in)	::	lo
integer(kind=int32),	intent(in)	::	hi

Return Value integer(kind=int32)

private elemental function clamp_integer_int64(v, lo, hi) result(res)

Arguments

Type	Intent		Name
integer(kind=int64),	intent(in)	::	v
integer(kind=int64),	intent(in)	::	lo
integer(kind=int64),	intent(in)	::	hi

Return Value integer(kind=int64)

private elemental function clamp_real_sp(v, lo, hi) result(res)

Arguments

Type	Intent		Name
real(kind=sp),	intent(in)	::	v
real(kind=sp),	intent(in)	::	lo
real(kind=sp),	intent(in)	::	hi

Return Value real(kind=sp)

private elemental function clamp_real_dp(v, lo, hi) result(res)

Arguments

Type	Intent		Name
real(kind=dp),	intent(in)	::	v
real(kind=dp),	intent(in)	::	lo
real(kind=dp),	intent(in)	::	hi

Return Value real(kind=dp)

interface

public pure function strlen_wrap(str) result(len) bind(c)

Arguments

Type	Intent	Optional	Attributes		Name
character(len=c_char),	intent(in)			::	str(*)

Return Value integer(kind=c_int)

interface

private pure function erf_local(x) result(e) bind(c, name='erf')

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=c_double),	intent(in)			::	x

Return Value real(kind=c_double)

interface

private pure function erfc_local(x) result(ec) bind(c, name='erfc')

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=c_double),	intent(in)			::	x

Return Value real(kind=c_double)

public interface operator(.div.)

private elemental function div_int32(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	a
integer(kind=int32),	intent(in)			::	b

Return Value integer(kind=int32)

private elemental function div_int64(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	a
integer(kind=int64),	intent(in)			::	b

Return Value integer(kind=int64)

private elemental function div_int128(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int128),	intent(in)			::	a
integer(kind=int128),	intent(in)			::	b

Return Value integer(kind=int128)

public interface abs_sign

private pure function abs_int4_sign(sgn)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	sgn(lenof_sign/inum_runs)

Return Value real(kind=dp)

private pure function abs_int8_sign(wsign)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in),		dimension(lenof_sign/inum_runs)	::	wsign

Return Value integer(kind=int64)

private pure function abs_real_sign(sgn)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	sgn(lenof_sign/inum_runs)

Return Value real(kind=dp)

public interface abs_l1

private pure function abs_l1_dp(val) result(ret)

Arguments

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

Return Value real(kind=dp)

private pure function abs_l1_sp(val) result(ret)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=sp),	intent(in)			::	val

Return Value real(kind=sp)

private pure function abs_l1_cdp(val) result(ret)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=dp),	intent(in)			::	val

Return Value real(kind=dp)

private pure function abs_l1_csp(val) result(ret)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=sp),	intent(in)			::	val

Return Value real(kind=sp)

public interface fuseIndex

private pure function fuseIndex_int32(q, p) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	q
integer(kind=int32),	intent(in)			::	p

Return Value integer(kind=int32)

private pure function fuseIndex_int64(x, y) result(xy)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	x
integer(kind=int64),	intent(in)			::	y

Return Value integer(kind=int64)

public interface swap

private elemental subroutine swap_int64(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(inout)			::	a
integer(kind=int64),	intent(inout)			::	b

private elemental subroutine swap_int32(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(inout)			::	a
integer(kind=int32),	intent(inout)			::	b

public interface custom_findloc

private pure function custom_findloc_integer_int32(arr, val, back) result(loc)

Custom implementation of the findloc intrinsic (with somewhat reduced functionality) as it requires fortran2008 support and is thus not available for some relevant compilers

Arguments

Type	Intent	Optional		Name
integer(kind=int32),	intent(in)		::	arr(:)
integer(kind=int32),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_integer_int64(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
integer(kind=int64),	intent(in)		::	arr(:)
integer(kind=int64),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_real_sp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
real(kind=sp),	intent(in)		::	arr(:)
real(kind=sp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_real_dp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
real(kind=dp),	intent(in)		::	arr(:)
real(kind=dp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_complex_sp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
complex(kind=sp),	intent(in)		::	arr(:)
complex(kind=sp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_complex_dp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
complex(kind=dp),	intent(in)		::	arr(:)
complex(kind=dp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_logical_(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
logical,	intent(in)		::	arr(:)
logical,	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

public interface cumsum

private pure function cumsum_integer_int32(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	X(:)

Return Value integer(kind=int32), (size(X))

private pure function cumsum_integer_int64(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	X(:)

Return Value integer(kind=int64), (size(X))

private pure function cumsum_real_sp(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=sp),	intent(in)			::	X(:)

Return Value real(kind=sp), (size(X))

private pure function cumsum_real_dp(X) result(Y)

Arguments

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

Return Value real(kind=dp), (size(X))

private pure function cumsum_complex_sp(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=sp),	intent(in)			::	X(:)

Return Value complex(kind=sp), (size(X))

private pure function cumsum_complex_dp(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=dp),	intent(in)			::	X(:)

Return Value complex(kind=dp), (size(X))

Derived Types

type, public :: EnumBase_t

Components

Type	Visibility	Attributes		Name		Initial
integer,	public		::	val

Type-Bound Procedures

procedure , private , :: eq_EnumBase_t Function
procedure , private , :: neq_EnumBase_t Function
generic, public :: operator(==) => eq_EnumBase_t
generic, public :: operator(/=) => neq_EnumBase_t

Functions

public function stochastic_round(r) result(i)

Arguments

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

Return Value integer

public elemental function stochastic_round_r(num, r) result(i)

Arguments

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

Return Value integer

private pure function abs_int4_sign(sgn)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	sgn(lenof_sign/inum_runs)

Return Value real(kind=dp)

private pure function abs_int8_sign(wsign)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in),		dimension(lenof_sign/inum_runs)	::	wsign

Return Value integer(kind=int64)

private pure function abs_real_sign(sgn)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=dp),	intent(in)			::	sgn(lenof_sign/inum_runs)

Return Value real(kind=dp)

private pure function abs_l1_sp(val) result(ret)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=sp),	intent(in)			::	val

Return Value real(kind=sp)

private pure function abs_l1_dp(val) result(ret)

Arguments

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

Return Value real(kind=dp)

private pure function abs_l1_csp(val) result(ret)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=sp),	intent(in)			::	val

Return Value real(kind=sp)

private pure function abs_l1_cdp(val) result(ret)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=dp),	intent(in)			::	val

Return Value real(kind=dp)

private pure function custom_findloc_integer_int32(arr, val, back) result(loc)

Custom implementation of the findloc intrinsic (with somewhat reduced functionality) as it requires fortran2008 support and is thus not available for some relevant compilers

Arguments

Type	Intent	Optional		Name
integer(kind=int32),	intent(in)		::	arr(:)
integer(kind=int32),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_integer_int64(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
integer(kind=int64),	intent(in)		::	arr(:)
integer(kind=int64),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_real_sp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
real(kind=sp),	intent(in)		::	arr(:)
real(kind=sp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_real_dp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
real(kind=dp),	intent(in)		::	arr(:)
real(kind=dp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_complex_sp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
complex(kind=sp),	intent(in)		::	arr(:)
complex(kind=sp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_complex_dp(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
complex(kind=dp),	intent(in)		::	arr(:)
complex(kind=dp),	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function custom_findloc_logical_(arr, val, back) result(loc)

Arguments

Type	Intent	Optional		Name
logical,	intent(in)		::	arr(:)
logical,	intent(in)		::	val
logical,	intent(in),	optional	::	back

Return Value integer

private pure function fuseIndex_int32(q, p) result(ind)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	q
integer(kind=int32),	intent(in)			::	p

Return Value integer(kind=int32)

private pure function fuseIndex_int64(x, y) result(xy)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	x
integer(kind=int64),	intent(in)			::	y

Return Value integer(kind=int64)

public function linearIndex(p, q, dim) result(ind)

Arguments

Type	Intent		Name
integer,	intent(in)	::	p
integer,	intent(in)	::	q
integer,	intent(in)	::	dim

Return Value integer

public pure elemental function getSpinIndex(orb) result(ms)

Arguments

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

Return Value integer

private elemental function gauss_sum(n)

@brief Calculate 1 + … + n

Arguments

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

Return Value integer

private elemental function get_index(n, k)

@brief Get the index in the binomial_lookup_table

Arguments

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

Return Value integer

private pure recursive function choose_i64_int32(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int32),	intent(in)		::	n
integer(kind=int32),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int64)

private pure recursive function choose_i128_int32(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int32),	intent(in)		::	n
integer(kind=int32),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int128)

private pure recursive function choose_i64_int64(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int64),	intent(in)		::	n
integer(kind=int64),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int64)

private pure recursive function choose_i128_int64(n, r, signal_overflow) result(res)

Return the binomail coefficient nCr(n, r)

Arguments

Type	Intent	Optional		Name
integer(kind=int64),	intent(in)		::	n
integer(kind=int64),	intent(in)		::	r
logical,	intent(in),	optional	::	signal_overflow	If true then the function returns -1 instead of aborting when overflow is encountered.

Return Value integer(kind=int128)

private elemental function div_int32(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	a
integer(kind=int32),	intent(in)			::	b

Return Value integer(kind=int32)

private elemental function div_int64(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	a
integer(kind=int64),	intent(in)			::	b

Return Value integer(kind=int64)

private elemental function div_int128(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int128),	intent(in)			::	a
integer(kind=int128),	intent(in)			::	b

Return Value integer(kind=int128)

private pure function det_int_arr_gt(a, b, len)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in),		dimension(:)	::	a
integer(kind=n_int),	intent(in),		dimension(:)	::	b
integer,	intent(in),	optional		::	len

Return Value logical

private pure function det_int_arr_eq(a, b, len)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in),		dimension(:)	::	a
integer(kind=n_int),	intent(in),		dimension(:)	::	b
integer,	intent(in),	optional		::	len

Return Value logical

public function binary_search_ilut(arr, val, cf_len) result(pos)

Arguments

Type	Intent	Optional		Name
integer(kind=n_int),	intent(in)		::	arr(:,:)
integer(kind=n_int),	intent(in)		::	val(:)
integer,	intent(in),	optional	::	cf_len

Return Value integer

private pure function binary_search_int_int32(arr, val) result(pos)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	arr(:)
integer(kind=int32),	intent(in)			::	val

Return Value integer(kind=int64)

private pure function binary_search_int_int64(arr, val) result(pos)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	arr(:)
integer(kind=int64),	intent(in)			::	val

Return Value integer(kind=int64)

public function binary_search_real(arr, val, thresh) result(pos)

Arguments

Type	Intent		Name
real(kind=dp),	intent(in)	::	arr(:)
real(kind=dp),	intent(in)	::	val
real(kind=dp),	intent(in)	::	thresh

Return Value integer

public function binary_search_custom(arr, val, cf_len, custom_gt) result(pos)

Arguments

Type

Intent

Optional

Attributes

Name

integer(kind=n_int),

intent(in)

arr(:,:)

integer(kind=n_int),

intent(in)

val(:)

integer,

intent(in),

optional

cf_len

private pure function custom_gt(a, b) result(ret)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=n_int),	intent(in)			::	a(:)
integer(kind=n_int),	intent(in)			::	b(:)

Return Value logical

Return Value integer

public function record_length(bytes)

Arguments

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

Return Value integer

public function get_free_unit() result(free_unit)

Arguments

None

Return Value integer

public function error_function_c(argument) result(res)

Arguments

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

Return Value real(kind=dp)

public function error_function(argument) result(res)

Arguments

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

Return Value real(kind=dp)

public function neci_etime(time) result(ret)

Arguments

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

Return Value real(kind=dp)

private pure function cumsum_integer_int32(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(in)			::	X(:)

Return Value integer(kind=int32), (size(X))

private pure function cumsum_integer_int64(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(in)			::	X(:)

Return Value integer(kind=int64), (size(X))

private pure function cumsum_real_sp(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
real(kind=sp),	intent(in)			::	X(:)

Return Value real(kind=sp), (size(X))

private pure function cumsum_real_dp(X) result(Y)

Arguments

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

Return Value real(kind=dp), (size(X))

private pure function cumsum_complex_sp(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=sp),	intent(in)			::	X(:)

Return Value complex(kind=sp), (size(X))

private pure function cumsum_complex_dp(X) result(Y)

Arguments

Type	Intent	Optional	Attributes		Name
complex(kind=dp),	intent(in)			::	X(:)

Return Value complex(kind=dp), (size(X))

public pure function lex_leq(lhs, rhs) result(res)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	lhs(:)
integer,	intent(in)			::	rhs(size(lhs))

Return Value logical

public pure function lex_geq(lhs, rhs) result(res)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	lhs(:)
integer,	intent(in)			::	rhs(size(lhs))

Return Value logical

public pure function get_permutations(n) result(res)

@brief Create all possible permutations of [1, …, n]

Arguments

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

Return Value integer, (n,factrl(n))

private elemental function implies(P, Q)

@brief The logical operator P => Q

Arguments

Type	Intent	Optional	Attributes		Name
logical,	intent(in)			::	P
logical,	intent(in)			::	Q

Return Value logical

private elemental function eq_EnumBase_t(this, other)

Arguments

Type	Intent	Optional	Attributes		Name
class(EnumBase_t),	intent(in)			::	this
class(EnumBase_t),	intent(in)			::	other

Return Value logical

private elemental function neq_EnumBase_t(this, other)

Arguments

Type	Intent	Optional	Attributes		Name
class(EnumBase_t),	intent(in)			::	this
class(EnumBase_t),	intent(in)			::	other

Return Value logical

private elemental function clamp_integer_int32(v, lo, hi) result(res)

Arguments

Type	Intent		Name
integer(kind=int32),	intent(in)	::	v
integer(kind=int32),	intent(in)	::	lo
integer(kind=int32),	intent(in)	::	hi

Return Value integer(kind=int32)

private elemental function clamp_integer_int64(v, lo, hi) result(res)

Arguments

Type	Intent		Name
integer(kind=int64),	intent(in)	::	v
integer(kind=int64),	intent(in)	::	lo
integer(kind=int64),	intent(in)	::	hi

Return Value integer(kind=int64)

private elemental function clamp_real_sp(v, lo, hi) result(res)

Arguments

Type	Intent		Name
real(kind=sp),	intent(in)	::	v
real(kind=sp),	intent(in)	::	lo
real(kind=sp),	intent(in)	::	hi

Return Value real(kind=sp)

private elemental function clamp_real_dp(v, lo, hi) result(res)

Arguments

Type	Intent		Name
real(kind=dp),	intent(in)	::	v
real(kind=dp),	intent(in)	::	lo
real(kind=dp),	intent(in)	::	hi

Return Value real(kind=dp)

Subroutines

public subroutine print_cstr_local(str, l)

Arguments

Type	Intent	Optional	Attributes		Name
character(len=c_char),	intent(in)			::	str(*)
integer,	intent(in)			::	l

public subroutine NECI_ICOPY(N, A, IA, B, IB)

Arguments

Type	Intent		Name
integer,	intent(in)	::	N
integer,	intent(in)	::	A(IA*N)
integer,	intent(in)	::	IA
integer,	intent(out)	::	B(IB*N)
integer,	intent(in)	::	IB

public subroutine addToIntArray(arr, ind, elem)

Arguments

Type	Intent	Attributes		Name
integer,	intent(inout),	allocatable	::	arr(:)
integer,	intent(in)		::	ind
integer,	intent(in)		::	elem

private elemental subroutine swap_int32(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int32),	intent(inout)			::	a
integer(kind=int32),	intent(inout)			::	b

private elemental subroutine swap_int64(a, b)

Arguments

Type	Intent	Optional	Attributes		Name
integer(kind=int64),	intent(inout)			::	a
integer(kind=int64),	intent(inout)			::	b

public pure subroutine pairSwap(a, i, b, j)

Arguments

Type	Intent		Name
integer(kind=int64),	intent(inout)	::	a
integer(kind=int64),	intent(inout)	::	i
integer(kind=int64),	intent(inout)	::	b
integer(kind=int64),	intent(inout)	::	j

public subroutine append_ext(stem, n, s)

Arguments

Type	Intent		Name
character(len=*),	intent(in)	::	stem
integer,	intent(in)	::	n
character(len=*),	intent(out)	::	s

public subroutine get_unique_filename(stem, tincrement, tnext, istart, filename, ext)

Arguments

Type	Intent	Optional		Name
character(len=*),	intent(in)		::	stem
logical,	intent(in)		::	tincrement
logical,	intent(in)		::	tnext
integer,	intent(in)		::	istart
character(len=*),	intent(out)		::	filename
character(len=*),	intent(in),	optional	::	ext

public pure subroutine find_next_comb(comb, k, n, finish)

Arguments

Type	Intent		Name
integer,	intent(inout)	::	comb(k)
integer,	intent(in)	::	k
integer,	intent(in)	::	n
logical,	intent(out)	::	finish

public subroutine open_new_file(funit, filename)

Arguments

Type	Intent	Optional	Attributes		Name
integer,	intent(in)			::	funit
character(len=*),	intent(in)			::	filename

util_mod Module

Contents

Uses

Contents

Interfaces

public interface binary_search_int

private pure function binary_search_int_int32(arr, val) result(pos)

Arguments

Return Value integer(kind=int64)

private pure function binary_search_int_int64(arr, val) result(pos)

Arguments

Return Value integer(kind=int64)

public interface operator(.implies.)

private elemental function implies(P, Q)

Arguments

Return Value logical

public interface choose_i64

private pure recursive function choose_i64_int32(n, r, signal_overflow) result(res)

Arguments

Return Value integer(kind=int64)

private pure recursive function choose_i64_int64(n, r, signal_overflow) result(res)

Arguments

Return Value integer(kind=int64)

public interface choose_i128

private pure recursive function choose_i128_int32(n, r, signal_overflow) result(res)

Arguments

Return Value integer(kind=int128)

private pure recursive function choose_i128_int64(n, r, signal_overflow) result(res)

Arguments

Return Value integer(kind=int128)

public interface clamp

private elemental function clamp_integer_int32(v, lo, hi) result(res)

Arguments

Return Value integer(kind=int32)

private elemental function clamp_integer_int64(v, lo, hi) result(res)

Arguments

Return Value integer(kind=int64)

private elemental function clamp_real_sp(v, lo, hi) result(res)

Arguments

Return Value real(kind=sp)

private elemental function clamp_real_dp(v, lo, hi) result(res)

Arguments

Return Value real(kind=dp)

interface

public pure function strlen_wrap(str) result(len) bind(c)

Arguments

Return Value integer(kind=c_int)

interface

private pure function erf_local(x) result(e) bind(c, name='erf')

Arguments

Return Value real(kind=c_double)

interface

private pure function erfc_local(x) result(ec) bind(c, name='erfc')

Arguments

Return Value real(kind=c_double)

public interface operator(.div.)

private elemental function div_int32(a, b)

Arguments

Return Value integer(kind=int32)

private elemental function div_int64(a, b)

Arguments

Return Value integer(kind=int64)

private elemental function div_int128(a, b)

Arguments

Return Value integer(kind=int128)

public interface abs_sign

private pure function abs_int4_sign(sgn)

Arguments

Return Value real(kind=dp)

private pure function abs_int8_sign(wsign)

Arguments

Return Value integer(kind=int64)

private pure function abs_real_sign(sgn)

Arguments

Return Value real(kind=dp)

public interface abs_l1

private pure function abs_l1_dp(val) result(ret)

Arguments

Return Value real(kind=dp)

private pure function abs_l1_sp(val) result(ret)