SEAMM Set Cell Plug-in

A SEAMM plug-in for setting the periodic (unit) cell.

• Free software: BSD-3-Clause

• Documentation: https://molssi-seamm.github.io/set_cell_step/index.html

• Code: https://github.com/molssi-seamm/set_cell_step

Features

• Setting the cell parameters

  • Explicitly.

  • To a given volume or density.

  • Uniformly expanding or contracting the cell.

Acknowledgements

This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award OAC-1547580 and CHE-2136142.

Development Team

• Paul Saxe <psaxe@molssi.org> (Lead)

• Why don’t you join the team? Become a contributor!

Versions of this Documentation