molssi-seamm / molsystem

Molsystem provides a general class for handling molecular and periodic systems
GNU Lesser General Public License v3.0
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computational-chemistry computational-materials-science molssi molssi-seamm

============= MolSystem

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Description

Molsystem provides a general class for handling molecular and periodic systems. This is the heart of SEAMM.

Features

Credits

This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.

.. Cookiecutter: https://github.com/audreyr/cookiecutter .. audreyr/cookiecutter-pypackage: https://github.com/audreyr/cookiecutter-pypackage

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

.. MolSSI: https://www.molssi.org .. National Science Foundation: https://www.nsf.gov