Framework for handling quantum-chemical calculations.
qcPy is a Python framework for conveniently handling quantum-chemical calculations and the post-processing of the acquired data.
For more general information on qcPy see its homepage.
Install the package by running:
pip install qcpy
- Source Code: https://github.com/tillbiskup/qcpy
If you are having issues, please contact the package authors via GitHub and/or file a bug report there.
The project licensed under the BSD license.
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