atsim.potentials provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS
Python modules and scripts to support atomistic simulation; atsim.potentials provides tools for working with pair and embedded atom method potential models.
Documentation, containing examples, API reference etc is hosted at http://atsimpotentials.readthedocs.org
Install Using Pip
If you have Pip type the following to install atsim.potentials:
pip install atsim.potentials
Install from Source
hg clone https://bitbucket.org/mjdr/atsim_potentials
alternatively a tarball of the source can be downloaded from the bitbucket downloads page here
From the source directory install atsim.potentials using the following command:
python setup.py install
atsim.potentials was developed by Michael Rushton, if you have any problems, suggestions or queries please get in touch (contact details are available from my homepage).
atsim.potentials is licensed under the Apache 2.0 license. For more information, please see LICENSE and NOTICE file.