update documentation for writing plugins

This commit is contained in:
Axel Kohlmeyer
2025-06-11 03:40:33 -04:00
parent 30cc2570ad
commit 0fd7a40d92
2 changed files with 30 additions and 14 deletions

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@ -68,24 +68,25 @@ Members of ``lammpsplugin_t``
* - author
- String with the name and email of the author
* - creator.v1
- Pointer to factory function for pair, bond, angle, dihedral, improper, kspace, or command styles
- Pointer to factory function for pair, bond, angle, dihedral, improper, kspace, command, or minimize styles
* - creator.v2
- Pointer to factory function for compute, fix, or region styles
- Pointer to factory function for compute, fix, region, or run styles
* - handle
- Pointer to the open DSO file handle
Only one of the two alternate creator entries can be used at a time and
which of those is determined by the style of plugin. The "creator.v1"
element is for factory functions of supported styles computing forces
(i.e. pair, bond, angle, dihedral, or improper styles) or command styles
and the function takes as single argument the pointer to the LAMMPS
instance. The factory function is cast to the ``lammpsplugin_factory1``
type before assignment. The "creator.v2" element is for factory
functions creating an instance of a fix, compute, or region style and
takes three arguments: a pointer to the LAMMPS instance, an integer with
the length of the argument list and a ``char **`` pointer to the list of
arguments. The factory function pointer needs to be cast to the
``lammpsplugin_factory2`` type before assignment.
(i.e. pair, bond, angle, dihedral, or improper styles), command styles,
or minimize styles and the function takes as single argument the pointer
to the LAMMPS instance. The factory function is cast to the
``lammpsplugin_factory1`` type before assignment. The "creator.v2"
element is for factory functions creating an instance of a fix, compute,
region, or run style and takes three arguments: a pointer to the LAMMPS
instance, an integer with the length of the argument list and a ``char
**`` pointer to the list of arguments. The factory function pointer
needs to be cast to the ``lammpsplugin_factory2`` type before
assignment.
Pair style example
^^^^^^^^^^^^^^^^^^
@ -247,8 +248,8 @@ DSO handle. The registration function is called with a pointer to the address
of this struct and the pointer of the LAMMPS class. The registration function
will then add the factory function of the plugin style to the respective
style map under the provided name. It will also make a copy of the struct
in a list of all loaded plugins and update the reference counter for loaded
plugins from this specific DSO file.
in a global list of all loaded plugins and update the reference counter for
loaded plugins from this specific DSO file.
The pair style itself (i.e. the PairMorse2 class in this example) can be
written just like any other pair style that is included in LAMMPS. For
@ -263,6 +264,21 @@ the plugin will override the existing code. This can be used to modify
the behavior of existing styles or to debug new versions of them without
having to re-compile or re-install all of LAMMPS.
.. versionupdated:: 12Jun2025
When using the :doc:`clear <clear>` command, plugins are not unloaded
but restored to their respective style maps. This also applies when
multiple LAMMPS instances are created and deleted through the library
interface. The :doc:`plugin load <plugin>` load command may be issued
again, but for existing plugins they will be skipped. To replace
plugins they must be explicitly unloaded with :doc:`plugin unload
<plugin>`. When multiple LAMMPS instances are created concurrently, any
loaded plugins will be added to the global list of plugins, but are not
immediately available to any LAMMPS instance that was created before
loading the plugin. To "import" such plugins, the :doc:`plugin restore
<plugin>` may be used. Plugins are only removed when they are explicitly
unloaded or the LAMMPS interface is "finalized".
Compiling plugins
^^^^^^^^^^^^^^^^^

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@ -77,7 +77,7 @@ styles and names.
The *clear* command will unload all currently loaded plugins.
.. versionadded:: TBD
.. versionadded:: 12Jun2025
The *restore* command will restore all currently loaded plugins.
This allows to "import" plugins into a different LAMMPS instance.