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atsim.potentials provides tools for working with pair and embedded atom method potential models including tabulation routines for DL_POLY and LAMMPS

Project Description

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.

Installation

Install Using Pip

If you have Pip type the following to install atsim.potentials:

pip install atsim.potentials

Install from Source

The source is hosted on bitbucket and can be cloned using mercurial as follows:

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

Contact

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).

License

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

Release History

Release History

This version
History Node

0.1

Download Files

Download Files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
atsim.potentials-0.1.tar.gz (1.7 MB) Copy SHA256 Checksum SHA256 Source Mar 22, 2014

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