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 type the following to install atsim.potentials:
pip install atsim.potentialsInstall from Source
The source is hosted on github and can be cloned using git as follows:
git clone https://github.com/mjdrushton/atsim-potentials.gitalternatively a tarball of the source can be downloaded here
From the source directory install atsim.potentials using the following command:
python setup.py installContact
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.
1 maintainer
Metadata
1 maintainer
Release files for atsim.potentials 0.4.1
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Release files / atsim.potentials-0.4.1.tar.gz
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