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Implemented and documented has_id, id_count, and id_name

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Karl Hammond
2022-10-25 19:51:08 -05:00
parent e68efc039f
commit 19f93009c1
2 changed files with 179 additions and 67 deletions
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59
doc/src/Fortran.rst
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@ -344,6 +344,12 @@ of the contents of the :f:mod:`LIBLAMMPS` Fortran interface to LAMMPS.
:ftype style_count: function
:f style_name: :f:func:`style_name`
:ftype style_name: function
:f has_id: :f:func:`has_id`
:ftype has_id: function
:f id_count: :f:func:`id_count`
:ftype id_count: function
:f id_name: :f:subr:`id_name`
:ftype id_name: subroutine
:f encode_image_flags: :f:func:`encode_image_flags`
:ftype encode_image_flags: function
:f decode_image_flags: :f:subr:`decode_image_flags`
@ -1934,6 +1940,53 @@ Procedures Bound to the :f:type:`lammps` Derived Type
--------
.. f:function:: has_id(category, name)
This function checks if the current LAMMPS instance a *category* ID of
the given *name* exists. Valid categories are: *compute*\ , *dump*\ ,
*fix*\ , *group*\ , *molecule*\ , *region*\ , and *variable*\ .
.. versionadded:: TBD
:p character(len=\*) category: category of the ID
:p character(len=\*) name: name of the ID
:to: :cpp:func:`lammps_has_id`
:r has_id: ``.TRUE.`` if *category* style *name* exists, ``.FALSE.`` if not.
:rtype has_id: logical
--------
.. f:function:: id_count(category)
This function counts how many IDs in the provided *category* are defined in
the current LAMMPS instance. Please see :f:func:`has_id` for a list of
valid categories.
.. versionadded:: TBD
:p character(len=\*) category: category of the ID
:to: :cpp:func:`lammps_id_count`
:r count: number of IDs in *category*
:rtype count: integer(c_int)
--------
.. f:subroutine:: id_name(category, idx, buffer)
Look up the name of an ID by index in the list of IDs of a given category.
.. versionadded:: TBD
This function copies the name of the *category* ID with the index *idx* into
the provided string *buffer*\ . The length of the buffer must be long
enough to hold the string; if the name of the style exceeds the length of
the buffer, it will be truncated accordingly. If *buffer* is
``ALLOCATABLE``, it must be allocated *before* the function is called.
If *idx* is out of range, *buffer* is set to an empty string and a warning
is issued.
--------
.. f:function:: encode_image_flags(ix, iy, iz)
Encodes three integer image flags into a single imageint.
@ -1968,14 +2021,14 @@ Procedures Bound to the :f:type:`lammps` Derived Type
.. code-block:: fortran
my_images = [lmp%encode_image_flags(0,0,0), lmp%encode_image_flags(1,0,0)]
my_images = [lmp%encode_image_flags(0,0,0), lmp%encode_image_flags(1,0,0)]
will *not* work; instead, do something like
.. code-block:: fortran
my_images(1) = lmp%encode_image_flags(0,0,0)
my_images(2) = lmp%encode_image_flags(1,0,0)
my_images(1) = lmp%encode_image_flags(0,0,0)
my_images(2) = lmp%encode_image_flags(1,0,0)
--------