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 at email@example.com .
atsim.potentials is licensed under the Apache 2.0 license. For more information, please see LICENSE and NOTICE file.