Manipulate molecular DOF and scan PES of aggregates
Project description
GENERAL
Please see the documentation for all detailed descriptions of ManipulateAggregates on https://razziel89.github.io/ManipulateAggregates/ (provided via GitHub pages).
Contributing
Contributions are very welcome! Please simply open a pull request. If you would like to make large-ish contributions, it might be prudent to first contact the maintainer to better co-ordinate those efforts.
This project uses the following auto-formatter:
- Python code: black (the uncompromising Python code formatter) https://github.com/psf/black
Please make sure to auto-format your pull request with those options. Furthermore, please document any code you add. Happy contributing!
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