Luthaf / rascaline

Computing representations for atomistic machine learning
https://luthaf.fr/rascaline/
BSD 3-Clause "New" or "Revised" License
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Spherical Bessel functions from scipy #144

Open frostedoyster opened 1 year ago

frostedoyster commented 1 year ago

This should be all the math we need for the LE basis

github-actions[bot] commented 1 year ago

The documentation for this PR is (or will soon be) available on readthedocs: https://rascaline--144.org.readthedocs.build/en/144/

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

Luthaf commented 1 year ago

Can you rebase this branch? The test error should be fixed by #145.