atsim-potentials
Tools and python module to assist in tabulation of pair and EAM potentials for atomistic simulation.
Tools and python module to assist in tabulation of pair and EAM potentials for atomistic simulation.
To install this package, run one of the following:
Classical simulation codes typically contain a good selection of analytical forms for describing atomic interactions. Sometimes however, you may need to use a potential that is not directly supported by the code. Luckily, most simulation codes allow you to provide tabulated potentials in which energies and forces, for a range of interatomic separations, are pre-calculated and specified as rows within a text file. The atsim.potentials package provides python modules to make the specification and tabulation of pair- and many-body potentials straightforward and consistent.
Summary
Tools and python module to assist in tabulation of pair and EAM potentials for atomistic simulation.
Last Updated
Dec 22, 2022 at 23:01
License
Apache-2.0
Total Downloads
8.6K
Supported Platforms
GitHub Repository
https://github.com/mjdrushton/atsim-potentialsDocumentation
https://atsimpotentials.readthedocs.io