Metadata-Version: 2.4
Name: baderkit
Version: 0.9.1
Summary: BaderKit is a python reimplementaion of the Henkelman Group's Bader code built on numba, numpy, and pymatgen.
Author-email: "Sam M. Weaver" <sammweaver@gmail.com>
License: BSD 3-Clause License
Project-URL: repository, https://github.com/SWeav02/baderkit
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: BSD License
Classifier: Programming Language :: Python :: 3.11
Classifier: Operating System :: OS Independent
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE.txt
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Provides-Extra: gui
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Dynamic: license-file

<!-- This displays the BaderKit Logo -->
<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;">
</p>

## 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!
