molsystem
Project description
MolSystem
Molsystem provides a general class for handling molecular and periodic systems
Free software: GNU Lesser General Public License v3+
Documentation: https://molsystem.readthedocs.io.
Features
Complete the initial version!
Remove the coordinates from the Atoms class and allow for multiple sets of coordinates – conformers, trajectories, etc.
Provide a concept of the ‘current’ system
Credits
This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage 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.
History
0.1.0 (2019-05-05)
First release on PyPI.
Release history Release notifications | RSS feed
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