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Luthaf / rascaline

Computing representations for atomistic machine learning
https://luthaf.fr/rascaline/
BSD 3-Clause "New" or "Revised" License
44 stars 13 forks source link

Add `species` option to `PowerSpectrum` class #273

Closed PicoCentauri closed 9 months ago

PicoCentauri commented 9 months ago

Also I moved the docstring to the class itself and also fixed a typo in another doc file.

📚 Documentation preview 📚: https://rascaline--273.org.readthedocs.build/en/273/

github-actions[bot] commented 9 months ago

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system