semvec/pypi-packages huggingface dataset:
baderkit 0.8.1
BaderKit is a python reimplementaion of the Henkelman Group's Bader code built on numba, numpy, and pymatgen.
License: BSD 3-Clause License
Requires Python: >=3.10

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<p align="center" href=https://github.com/SWeav02/baderkit>
   <img src="https://github.com/SWeav02/baderkit/blob/main/docs/images/full_title.svg?raw=true" width="700" style="max-width: 700px;">
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## About

BaderKit is a python implementation of Bader's Atomic Theory of Atoms in Molecules. It is largely based on the algorithms of [Henkelman et. al.](https://theory.cm.utexas.edu/henkelman/code/bader/) at UT Austin. The app is maintained by the [Warren Lab](https://materials-lab.io/) at UNC Chapel Hill. For information on installation and use, see the [docs](https://sweav02.github.io/baderkit/)

## Contributing

If you are interested in this project and have suggestions, please use our [Github's](https://github.com/SWeav02/baderkit) repositories Issues or Discussions tab. Any suggestions or discussion would be deeply appreciated!