***********************************************************************************************
``atsim.potentials`` - python modules for working with potential models in atomistic simulation
***********************************************************************************************
Python modules and scripts to support atomistic simulation; ``atsim.potentials`` provides tools for working with pair and embedded atom method potential models.
In particular includes functions for tabulation of pair and EAM models for `LAMMPS`_ and `DL_POLY`_.
Documentation
=============
Documentation, containing examples, API reference etc is hosted at http://atsimpotentials.readthedocs.org
Installation
============
Install Using Pip
-----------------
If you have `Pip <http://www.pip-installer.org/>`_ type the following to install ``atsim.potentials``:
.. code:: sh
pip install atsim.potentials
Install from Source
-------------------
The source is hosted on `github`_ and can be cloned using `git`_ as follows:
.. code:: sh
git clone https://github.com/mjdrushton/atsim-potentials.git
alternatively a tarball of the source can be downloaded `here <https://github.com/mjdrushton/atsim-potentials/archive/master.zip>`_
From the source directory install ``atsim.potentials`` using the following command:
.. code:: sh
python setup.py install
Contact
=======
``atsim.potentials`` was developed by Michael Rushton, if you have any problems, suggestions or queries please get in touch at m.j.d.rushton@gmail.com .
License
=======
``atsim.potentials`` is licensed under the Apache 2.0 license. For more information,
please see LICENSE and NOTICE file.
.. _LAMMPS: http://lammps.sandia.gov
.. _DL_POLY: http://www.stfc.ac.uk/cse/25526.aspx
.. _github: https://github.com/mjdrushton/atsim-potentials
.. _git: https://git-scm.com
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