Project description

PyQCAMS

Python Quasi-Classical Atom-Molecule Scattering, a Python package for atom-molecule scattering within the quasi-classical trajectory approach.

pip install PyQCAMS

The `example` folder contains a full example for simulating the reaction H₂ + Ca.

A sample dataset to reproduce the figures in the example notebook can be found at https://figshare.com/s/8b923dab304005ae7a5c.

Pull requests are welcome. For major changes, please open an issue first to discuss what you would like to change.

Please make sure to update tests as appropriate.

These details have not been verified by PyPI

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This version

1.0.3

Jun 14, 2023

1.0.2

May 30, 2023

1.0.1

May 27, 2023

1.0.0

Apr 3, 2023

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Uploaded Jun 14, 2023 Source

Uploaded Jun 14, 2023 Python 3

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