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Luthaf / rascaline

Computing representations for atomistic machine learning
https://luthaf.fr/rascaline/
BSD 3-Clause "New" or "Revised" License
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Added digamma and hyp2f1 functions #114

Closed PicoCentauri closed 1 year ago

PicoCentauri commented 1 year ago

The code has to be cleaned up and some of the tests have to be fixed or values excluded.

github-actions[bot] commented 1 year ago

The documentation for this PR is (or will soon be) available on readthedocs: https://rascaline--114.org.readthedocs.build/en/114/

Luthaf commented 1 year ago

This is now fine for me, let me know what you think @PicoCentauri!

PicoCentauri commented 1 year ago

Looks good. One thing we might ask @kvhuguenin if he agrees with the magnitude of a, b, c and x given in the tests and if they agree for what we need for the central contribution?

PicoCentauri commented 1 year ago

I think this is ready to be merged. We do a further testing if the accuracy is enough once we have further tests for LODE.