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SEAMM Set Cell Plug-in

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

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.