add list of documented functions at the top of the C-Library doc pages

This commit is contained in:
Axel Kohlmeyer
2020-09-30 21:16:48 -04:00
parent dc13a61b40
commit 77fb2ee311
8 changed files with 126 additions and 3 deletions

View File

@ -1,6 +1,23 @@
Retrieving LAMMPS configuration information Retrieving LAMMPS configuration information
=========================================== ===========================================
This section documents the following functions:
- :cpp:func:`lammps_config_has_mpi_support`
- :cpp:func:`lammps_config_has_gzip_support`
- :cpp:func:`lammps_config_has_png_support`
- :cpp:func:`lammps_config_has_jpeg_support`
- :cpp:func:`lammps_config_has_ffmpeg_support`
- :cpp:func:`lammps_config_has_exceptions`
- :cpp:func:`lammps_config_has_package`
- :cpp:func:`lammps_config_package_count`
- :cpp:func:`lammps_config_package_name`
- :cpp:func:`lammps_has_style`
- :cpp:func:`lammps_style_count`
- :cpp:func:`lammps_style_name`
--------------------
The following library functions can be used to query the LAMMPS library The following library functions can be used to query the LAMMPS library
about compile time settings and included packages and styles. This about compile time settings and included packages and styles. This
enables programs that use the library interface to run LAMMPS enables programs that use the library interface to run LAMMPS

View File

@ -1,6 +1,18 @@
Creating or deleting a LAMMPS object Creating or deleting a LAMMPS object
==================================== ====================================
This section documents the following functions:
- :cpp:func:`lammps_open`
- :cpp:func:`lammps_open_no_mpi`
- :cpp:func:`lammps_open_fortran`
- :cpp:func:`lammps_close`
- :cpp:func:`lammps_mpi_init`
- :cpp:func:`lammps_mpi_finalize`
- :cpp:func:`lammps_free`
--------------------
The :cpp:func:`lammps_open` and :cpp:func:`lammps_open_no_mpi` functions The :cpp:func:`lammps_open` and :cpp:func:`lammps_open_no_mpi` functions
are used to create and initialize a :cpp:func:`LAMMPS` instance. They are used to create and initialize a :cpp:func:`LAMMPS` instance. They
return a reference to this instance as a ``void *`` pointer to be used return a reference to this instance as a ``void *`` pointer to be used

View File

@ -1,6 +1,15 @@
Executing LAMMPS commands Executing LAMMPS commands
========================= =========================
This section documents the following functions:
- :cpp:func:`lammps_file`
- :cpp:func:`lammps_command`
- :cpp:func:`lammps_commands_list`
- :cpp:func:`lammps_commands_string`
--------------------
Once a LAMMPS instance is created, there are multiple ways to "drive" a Once a LAMMPS instance is created, there are multiple ways to "drive" a
simulation. In most cases it is easiest to process single or multiple simulation. In most cases it is easiest to process single or multiple
LAMMPS commands like in an input file. This can be done through reading LAMMPS commands like in an input file. This can be done through reading

View File

@ -2,7 +2,13 @@ Accessing LAMMPS Neighbor lists
=============================== ===============================
The following functions allow to access neighbor lists The following functions allow to access neighbor lists
generated by LAMMPS or query their properties. generated by LAMMPS or query their properties:
- :cpp:func:`lammps_find_compute_neighlist`
- :cpp:func:`lammps_find_fix_neighlist`
- :cpp:func:`lammps_find_pair_neighlist`
- :cpp:func:`lammps_neighlist_num_elements`
- :cpp:func:`lammps_neighlist_element_neighbors`
----------------------- -----------------------

View File

@ -2,7 +2,12 @@ Retrieving or setting properties of LAMMPS objects
================================================== ==================================================
This section documents accessing or modifying data from objects like This section documents accessing or modifying data from objects like
computes, fixes, or variables in LAMMPS. computes, fixes, or variables in LAMMPS using following functions:
- :cpp:func:`lammps_extract_compute`
- :cpp:func:`lammps_extract_fix`
- :cpp:func:`lammps_extract_variable`
- :cpp:func:`lammps_set_variable`
----------------------- -----------------------

View File

@ -1,6 +1,24 @@
Retrieving or setting LAMMPS system properties Retrieving or setting LAMMPS system properties
============================================== ==============================================
This section documents the following functions:
- :cpp:func:`lammps_version`
- :cpp:func:`lammps_memory_usage`
- :cpp:func:`lammps_get_mpi_comm`
- :cpp:func:`lammps_get_natoms`
- :cpp:func:`lammps_get_thermo`
- :cpp:func:`lammps_extract_box`
- :cpp:func:`lammps_reset_box`
- :cpp:func:`lammps_extract_setting`
- :cpp:func:`lammps_extract_global_datatype`
- :cpp:func:`lammps_extract_global`
- :cpp:func:`lammps_extract_atom_datatype`
- :cpp:func:`lammps_extract_atom`
- :cpp:func:`lammps_create_atoms`
--------------------
The library interface allows extraction of different kinds of The library interface allows extraction of different kinds of
information about the active simulation instance and also information about the active simulation instance and also
modifications to it. This enables combining of a LAMMPS simulation modifications to it. This enables combining of a LAMMPS simulation

View File

@ -1,6 +1,19 @@
Library functions for scatter/gather operations Library functions for scatter/gather operations
================================================ ================================================
This section documents the following functions:
- :cpp:func:`lammps_gather_atoms`
- :cpp:func:`lammps_gather_atoms_concat`
- :cpp:func:`lammps_gather_atoms_subset`
- :cpp:func:`lammps_scatter_atoms`
- :cpp:func:`lammps_scatter_atoms_subset`
- :cpp:func:`lammps_gather`
- :cpp:func:`lammps_gather_concat`
- :cpp:func:`lammps_gather_subset`
- :cpp:func:`lammps_scatter`
- :cpp:func:`lammps_scatter_subset`
.. TODO add description .. TODO add description
----------------------- -----------------------
@ -27,3 +40,28 @@ Library functions for scatter/gather operations
.. doxygenfunction:: lammps_scatter_atoms_subset .. doxygenfunction:: lammps_scatter_atoms_subset
:project: progguide :project: progguide
-----------------------
.. doxygenfunction:: lammps_gather
:project: progguide
-----------------------
.. doxygenfunction:: lammps_gather_concat
:project: progguide
-----------------------
.. doxygenfunction:: lammps_gather_subset
:project: progguide
-----------------------
.. doxygenfunction:: lammps_scatter
:project: progguide
-----------------------
.. doxygenfunction:: lammps_scatter_subset
:project: progguide

View File

@ -2,7 +2,15 @@ Library interface utility functions
=================================== ===================================
To simplify some of the tasks, the library interface contains To simplify some of the tasks, the library interface contains
some utility functions that are not directly calling LAMMPS. some utility functions that are not directly calling LAMMPS:
- :cpp:func:`lammps_encode_image_flags`
- :cpp:func:`lammps_decode_image_flags`
- :cpp:func:`lammps_set_fix_external_callback`
- :cpp:func:`lammps_fix_external_set_energy_global`
- :cpp:func:`lammps_fix_external_set_virial_global`
- :cpp:func:`lammps_has_error`
- :cpp:func:`lammps_get_last_error_message`
----------------------- -----------------------
@ -21,6 +29,16 @@ some utility functions that are not directly calling LAMMPS.
----------------------- -----------------------
.. doxygenfunction:: lammps_fix_external_set_energy_global
:project: progguide
-----------------------
.. doxygenfunction:: lammps_fix_external_set_virial_global
:project: progguide
-----------------------
.. doxygenfunction:: lammps_has_error .. doxygenfunction:: lammps_has_error
:project: progguide :project: progguide