.. module:: ase.calculators.LAMMPSrun

======
LAMMPS
======

The LAMMPS calculator first appeared in ASE version 3.5.0.  At the
time of the release of ASE 3.17.0, the LAMMPS calculator is still a
thin wrapper containing basic features to enable the use of LAMMPS in
ASE (missing some feature might have been added in the source code
development tree or some more recent version of ASE).

.. autoclass:: ase.calculators.lammpsrun.LAMMPS

Setting up an OPLS calculation
==============================

There are some modules to facilitate the setup of an OPLS force field
calculation, see :mod:`ase.io.opls`.