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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:

Please make sure to auto-format your pull request with those options. Furthermore, please document any code you add. Happy contributing!

Project details


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ManipulateAggregates-0.1.1.tar.gz (137.5 kB view hashes)

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