Warn instead of erroring if center_contribution is given to SOAP radial integral

Luthaf / rascaline

Computing representations for atomistic machine learning

https://luthaf.fr/rascaline/

BSD 3-Clause "New" or "Revised" License

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Warn instead of erroring if center_contribution is given to SOAP radial integral #211

Closed Luthaf closed 1 year ago

Luthaf commented 1 year ago

This is a follow up to #204.

:books: Documentation preview :books:: https://rascaline--211.org.readthedocs.build/en/211/

github-actions[bot] commented 1 year 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