update docs

This commit is contained in:
Axel Kohlmeyer
2021-03-18 18:04:13 -04:00
parent a5ce7c1ac9
commit 024a9600b1
3 changed files with 96 additions and 27 deletions

View File

@ -2,36 +2,95 @@ Writing plugins
---------------
Plugins provide a mechanism to add functionality to a LAMMPS executable
without recompiling LAMMPS. This uses the operating system's
capability to load dynamic shared object (DSO) files in a way similar
shared libraries and then references specific functions those DSOs.
Any DSO file with plugins has to include an initialization function
with a specific name that has to follow specific rules. When loading
the DSO, this function is called and will then register the contained
plugin(s) with LAMMPS.
without recompiling LAMMPS. The functionality for this and the
:doc:`plugin command <plugin>` are implemented in the
:ref:`PLUGIN package <PKG-PLUGIN>` which must be installed to use plugins.
Plugins use the operating system's capability to load dynamic shared
object (DSO) files in a way similar shared libraries and then reference
specific functions in those DSOs. Any DSO file with plugins has to include
an initialization function with a specific name, "lammpsplugin_init", that
has to follow specific rules described below. When loading the DSO with
the "plugin" command, this function is looked up and called and will then
register the contained plugin(s) with LAMMPS.
From the programmer perspective this can work because of the object
oriented design where all pair style commands are derived from the class
Pair, all fix style commands from the class Fix and so on and only
functions from those base classes are called directly. When a
:doc:`pair_style` command or :doc:`fix` command is issued a new
instance of such a derived class is created. This is done by a
so-called factory function which is mapped to the style name. Thus
when, for example, the LAMMPS processes the command
``pair_style lj/cut 2.5``, LAMMPS will look up the factory function
for creating the ``PairLJCut`` class and then execute it. The return
value of that function is a ``Pair *`` pointer and the pointer will
be assigned to the location for the currently active pair style.
oriented design of LAMMPS where all pair style commands are derived from
the class Pair, all fix style commands from the class Fix and so on and
usually only functions present in those base classes are called
directly. When a :doc:`pair_style` command or :doc:`fix` command is
issued a new instance of such a derived class is created. This is done
by a so-called factory function which is mapped to the style name. Thus
when, for example, the LAMMPS processes the command ``pair_style lj/cut
2.5``, LAMMPS will look up the factory function for creating the
``PairLJCut`` class and then execute it. The return value of that
function is a ``Pair *`` pointer and the pointer will be assigned to the
location for the currently active pair style.
A plugin thus has to implement such a factory function and register it
with LAMMPS so that it gets added to the map of available styles of
the given category. To register a plugin with LAMMPS an initialization
function has to be called that follows specific rules explained below.
A DSO file with a plugin thus has to implement such a factory function
and register it with LAMMPS so that it gets added to the map of available
styles of the given category. To register a plugin with LAMMPS an
initialization function has to be present in the DSO file called
``lammpsplugin_init`` which is called with three ``void *`` arguments:
a pointer to the current LAMMPS instance, a pointer to the opened DSO
handle, and a pointer to the registration function. The registration
function takes two arguments: a pointer to a ``lammpsplugin_t`` struct
with information about the plugin and a pointer to the current LAMMPS
instance. Please see below for an example of how the registration is
done.
Members of ``lammpsplugin_t``
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
As an example, for a hypothetical pair style "morse2" implemented in a
class ``PairMorse2`` in the files ``pair_morse2.h`` and
``pair_morse2.cpp`` the file with the factory function and initialization
.. list-table::
:header-rows: 1
:widths: auto
* - Member
- Description
* - version
- LAMMPS Version string the plugin was compiled for
* - style
- Style of the plugin (pair, bond, fix, command, etc.)
* - name
- Name of the plugin style
* - info
- String with information about the plugin
* - author
- String with the name and email of the author
* - creator.v1
- Pointer to factory function for pair, bond, angle, dihedral, or improper styles
* - creator.v2
- Pointer to factory function for compute, fix, or region styles
* - creator.v3
- Pointer to factory function for command styles
* - handle
- Pointer to the open DSO file handle
Only one of the three 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) 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.
The "creator.v3" element takes the same arguments as "creator.v3" but is
specific to creating command styles: the factory function has to instantiate
the command style locally passing the LAMMPS pointer as argument and then
call its "command" member function with the number and list of arguments.
The factory function pointer needs to be cast to the
``lammpsplugin_factory3`` type before assignment.
Pair style example
^^^^^^^^^^^^^^^^^^
As an example, a hypothetical pair style plugin "morse2" implemented in
a class ``PairMorse2`` in the files ``pair_morse2.h`` and
``pair_morse2.cpp`` with the factory function and initialization
function would look like this:
.. code-block:: C++
@ -70,6 +129,10 @@ pointer to the allocated class instance derived from the ``Pair`` class.
This function may be declared static to avoid clashes with other plugins.
The name of the derived class, ``PairMorse2``, must be unique inside
the entire LAMMPS executable.
Fix style example
^^^^^^^^^^^^^^^^^
If the factory function would be for a fix or compute, which take three
arguments (a pointer to the LAMMPS class, the number of arguments and the
list of argument strings), then the pointer type is ``lammpsplugin_factory2``
@ -104,6 +167,8 @@ Below is an example for that:
(*register_plugin)(&plugin,lmp);
}
Command style example
^^^^^^^^^^^^^^^^^^^^^
For command styles there is a third variant of factory function as
demonstrated in the following example, which also shows that the
implementation of the plugin class may also be within the same
@ -158,6 +223,9 @@ file as the plugin interface code:
(*register_plugin)(&plugin,lmp);
}
Additional Details
^^^^^^^^^^^^^^^^^^
The initialization function **must** be called ``lammpsplugin_init``, it
**must** have C bindings and it takes three void pointers as arguments.
The first is a pointer to the LAMMPS class that calls it and it needs to
@ -167,7 +235,7 @@ to the plugin info struct, so that the DSO can be closed and unloaded
when all its contained plugins are unloaded. The third argument is a
function pointer to the registration function and needs to be stored
in a variable of ``lammpsplugin_regfunc`` type and then called with a
pointer to the ``lammpsplugin_`` struct and the pointer to the LAMMPS
pointer to the ``lammpsplugin_t`` struct and the pointer to the LAMMPS
instance as arguments to register a single plugin. There may be multiple
calls to multiple plugins in the same initialization function.

View File

@ -17,7 +17,7 @@ Syntax
*load* file = load plugin(s) from shared object in *file*
*unload* style name = unload plugin *name* of style *style*
*style* = *pair* or *fix* or *command*
*style* = *pair* or *bond* or *angle* or *dihedral* or *improper* or *compute* or *fix* or *region* or *command*
*list* = print a list of currently loaded plugins
*clear* = unload all currently loaded plugins

View File

@ -1588,6 +1588,7 @@ lammps
Lammps
LAMMPS
lammpsplot
lammpsplugin
Lampis
Lamoureux
Lanczos