Documentation for module qs_fb_trial_fns_types

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source: qs_fb_trial_fns_types.F
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public Types:

fb_trial_fns_obj
the object container which allows for the creation of an array of pointers to fb_trial_fns objects

public Subroutines/Functions:

SUBROUTINE
fb_trial_fns_associate (a, b)
associates the content of an object to that of another object of the same type
creates an fb_trial_fns object and initialises it
get values of the attributes of a fb_trial_fns object
FUNCTION
LOGICAL
fb_trial_fns_has_data (trial_fns)
check if the object has data associated to it
nullifies the content of given object
releases given object
retains given object
sets the attributes of a fb_trial_fns object

public Types:

TYPE :: fb_trial_fns_obj

the object container which allows for the creation of an array of pointers to fb_trial_fns objects


POINTER, PRIVATE :: obj pointer to the fb_trial_fns object

SUBROUTINEfb_trial_fns_associate(a, b)

associates the content of an object to that of another object of the same type

Arguments:
INTENT(out)
:: a the output object
INTENT(in)
:: b the input object

SUBROUTINEfb_trial_fns_create(trial_fns)

creates an fb_trial_fns object and initialises it

Arguments:
INTENT(inout)
:: trial_fns the fb_trial_fns object in question

SUBROUTINEfb_trial_fns_get(trial_fns, nfunctions, functions)

get values of the attributes of a fb_trial_fns object

Arguments:
INTENT(in)
:: trial_fns the fb_trial_fns object in question
INTEGER,
OPTIONAL, POINTER
:: nfunctions(:) outputs pointer to trial_fns%obj%nfunctions
INTEGER,
OPTIONAL, POINTER
:: functions(:,:) outputs pointer to trial_fns%obj%functions

FUNCTIONfb_trial_fns_has_data(trial_fns)

check if the object has data associated to it

Return Value ::
LOGICAL
true if trial_fns%obj is associated, false otherwise
Arguments:
INTENT(in)
:: trial_fns the fb_trial_fns object in question

SUBROUTINEfb_trial_fns_nullify(trial_fns)

nullifies the content of given object

Arguments:
INTENT(inout)
:: trial_fns the fb_trial_fns object in question

SUBROUTINEfb_trial_fns_release(trial_fns)

releases given object

Arguments:
INTENT(inout)
:: trial_fns the fb_trial_fns object in question

SUBROUTINEfb_trial_fns_retain(trial_fns)

retains given object

Arguments:
INTENT(in)
:: trial_fns the fb_trial_fns object in question

SUBROUTINEfb_trial_fns_set(trial_fns, nfunctions, functions)

sets the attributes of a fb_trial_fns object

Arguments:
INTENT(inout)
:: trial_fns the fb_trial_fns object in question
INTEGER,
OPTIONAL, POINTER
:: nfunctions(:) associates trial_fns%obj%nfunctions to this pointer
INTEGER,
OPTIONAL, POINTER
:: functions(:,:) associates trial_fns%obj%nfunctions to this pointer

private Parameters/Types:

private Types:

TYPE :: fb_trial_fns_data

data containing information on trial functions used by filter matrix diagonalisation method


INTEGER
:: id_nr unique id for the object
INTEGER
:: ref_count reference counter for the object
INTEGER,
DIMENSION(:), POINTER :: nfunctions nfunctions(ikind) = number of trial functions for atomic kind ikind
INTEGER,
DIMENSION(:,:), POINTER :: functions functions(itrial,ikind) = the index of the GTO atomic orbital corresponding to itrial-th trial function for kind ikind