add documentation for new library APIs to set variables and changes to the old API

This commit is contained in:
Axel Kohlmeyer
2024-01-24 04:14:03 -05:00
parent c7a3571974
commit 7b210dd97e
2 changed files with 55 additions and 2 deletions

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@ -315,6 +315,10 @@ of the contents of the :f:mod:`LIBLAMMPS` Fortran interface to LAMMPS.
:ftype extract_variable: function :ftype extract_variable: function
:f set_variable: :f:subr:`set_variable` :f set_variable: :f:subr:`set_variable`
:ftype set_variable: subroutine :ftype set_variable: subroutine
:f set_string_variable: :f:subr:`set_set_string_variable`
:ftype set_string_variable: subroutine
:f set_internal_variable: :f:subr:`set_internal_variable`
:ftype set_internal_variable: subroutine
:f gather_atoms: :f:subr:`gather_atoms` :f gather_atoms: :f:subr:`gather_atoms`
:ftype gather_atoms: subroutine :ftype gather_atoms: subroutine
:f gather_atoms_concat: :f:subr:`gather_atoms_concat` :f gather_atoms_concat: :f:subr:`gather_atoms_concat`
@ -1398,7 +1402,28 @@ Procedures Bound to the :f:type:`lammps` Derived Type
Set the value of a string-style variable. Set the value of a string-style variable.
.. versionadded:: 3Nov2022 .. deprecated:: TBD
This function assigns a new value from the string *str* to the string-style
variable *name*\ . If *name* does not exist or is not a string-style
variable, an error is generated.
.. warning::
This subroutine is deprecated and :f:subr:`set_string_variable`
should be used instead.
:p character(len=*) name: name of the variable
:p character(len=*) str: new value to assign to the variable
:to: :cpp:func:`lammps_set_variable`
--------
.. f:subroutine:: set_string_variable(name, str)
Set the value of a string-style variable.
.. versionadded:: TBD
This function assigns a new value from the string *str* to the string-style This function assigns a new value from the string *str* to the string-style
variable *name*\ . If *name* does not exist or is not a string-style variable *name*\ . If *name* does not exist or is not a string-style
@ -1406,7 +1431,23 @@ Procedures Bound to the :f:type:`lammps` Derived Type
:p character(len=*) name: name of the variable :p character(len=*) name: name of the variable
:p character(len=*) str: new value to assign to the variable :p character(len=*) str: new value to assign to the variable
:to: :cpp:func:`lammps_set_variable` :to: :cpp:func:`lammps_set_string_variable`
--------
.. f:subroutine:: set_internal_variable(name, val)
Set the value of a internal-style variable.
.. versionadded:: TBD
This function assigns a new value from the floating-point number *val* to
the internal-style variable *name*\ . If *name* does not exist or is not
an internal-style variable, an error is generated.
:p character(len=*) name: name of the variable
:p read(c_double) val: new value to assign to the variable
:to: :cpp:func:`lammps_set_internal_variable`
-------- --------

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@ -9,6 +9,8 @@ fixes, or variables in LAMMPS using the following functions:
- :cpp:func:`lammps_extract_variable_datatype` - :cpp:func:`lammps_extract_variable_datatype`
- :cpp:func:`lammps_extract_variable` - :cpp:func:`lammps_extract_variable`
- :cpp:func:`lammps_set_variable` - :cpp:func:`lammps_set_variable`
- :cpp:func:`lammps_set_string_variable`
- :cpp:func:`lammps_set_internal_variable`
- :cpp:func:`lammps_variable_info` - :cpp:func:`lammps_variable_info`
----------------------- -----------------------
@ -38,6 +40,16 @@ fixes, or variables in LAMMPS using the following functions:
----------------------- -----------------------
.. doxygenfunction:: lammps_set_string_variable
:project: progguide
-----------------------
.. doxygenfunction:: lammps_set_internal_variable
:project: progguide
-----------------------
.. doxygenfunction:: lammps_variable_info .. doxygenfunction:: lammps_variable_info
:project: progguide :project: progguide