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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

Fix features selection for power spectrum #121

Closed Luthaf closed 1 year ago

Luthaf commented 1 year ago

TODO before review

github-actions[bot] commented 1 year ago

The documentation for this PR is (or will soon be) available on readthedocs: https://rascaline--121.org.readthedocs.build/en/121/

Luthaf commented 1 year ago

Do not merge this, I'd like to rewrite some of the code using https://github.com/lab-cosmo/equistore/pull/60

Luthaf commented 1 year ago

@hurricane642 can you check this fixes the selection issue you saw?

hurricane642 commented 1 year ago

@hurricane642 can you check this fixes the selection issue you saw?

yep, it's work!

PicoCentauri commented 1 year ago

Good that this fixes the issues with the how-to's. I rebased and we can merge if everything is fine.