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
- Setting the cell parameters
- Explicitly.
- To a given volume or density.
- Uniformly expanding or contracting the cell.
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.