scikit-learn-contrib / scikit-matter

A collection of scikit-learn compatible utilities that implement methods born out of the materials science and chemistry communities
https://scikit-matter.readthedocs.io/en/v0.2.0/
BSD 3-Clause "New" or "Revised" License
70 stars 18 forks source link

Allowing FPS to take numpy array of ints as initialize parameter #225

Closed cajchristian closed 1 month ago

cajchristian commented 2 months ago

Hello!

This pull request is my attempt to address issue #145. With these changes, FPS should be able to accept a numpy array of ints as an input. I wrote a few tests as well to ensure the updated code is functioning properly. I'd love to hear any feedback you may have!

Contributor (creator of PR) checklist

For Reviewer


📚 Documentation preview 📚: https://scikit-matter--225.org.readthedocs.build/en/225/

cajchristian commented 1 month ago

Updated the changelog!