document __version__ module member and version check

This commit is contained in:
Axel Kohlmeyer
2021-02-09 12:29:14 -05:00
parent 65affd6f12
commit 653c296246
3 changed files with 30 additions and 2 deletions

View File

@ -26,6 +26,23 @@ There are multiple Python interface classes in the :py:mod:`lammps` module:
.. _mpi4py_url: https://mpi4py.readthedocs.io
.. admonition:: Version check
:class: note
The :py:mod:`lammps` module stores the version number of the LAMMPS
version it is installed from. When initializing the
:py:class:`lammps <lammps.lammps>` class, this version is checked to
be the same as the result from :py:func:`lammps.version`, the version
of the LAMMPS shared library that the module interfaces to. If the
they are not the same an AttributeError exception is raised since a
mismatch of versions (e.g. due to incorrect use of the
``LD_LIBRARY_PATH`` or ``PYTHONPATH`` environment variables can lead
to crashes or data corruption and otherwise incorrect behavior.
.. automodule:: lammps
:members:
:noindex:
----------
The ``lammps`` class API