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Fix cartesian_to_spherical for rank > 2 tensors and real_to_complex transformation #371

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merged 23 commits into from
Jan 31, 2025
Merged

Fix cartesian_to_spherical for rank > 2 tensors and real_to_complex transformation #371

merged 23 commits into from
Jan 31, 2025

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ppegolo
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@ppegolo ppegolo commented Jan 21, 2025 •
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@ppegolo
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ppegolo commented Jan 21, 2025

We'll have to make some changes for properly dispatching operations

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Luthaf commented Jan 21, 2025

Thanks for doing this! Do you have a test, some function that proves that the new behavior is correct? Ideally something like in #353

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ppegolo commented Jan 21, 2025

Just locally in a notebook, we will add some tests soon

@jwa7 jwa7 changed the title Start fixing CG utils Fix cartesian_to_spherical for rank > 2 tensors and real_to_complex transformation Jan 22, 2025
@jwa7 jwa7 requested a review from Luthaf January 22, 2025 17:38
@jwa7 jwa7 marked this pull request as ready for review January 22, 2025 17:38
Luthaf
Luthaf reviewed Jan 27, 2025
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python/featomic/tests/clebsch_gordan/cartesian_spherical.py Show resolved Hide resolved
python/featomic/tests/clebsch_gordan/cartesian_spherical.py Show resolved Hide resolved
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python/featomic/tests/clebsch_gordan/cartesian_spherical.py Show resolved Hide resolved
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jwa7 commented Jan 29, 2025

Think we're ready for re-review @Luthaf ! @MichelangeloDomina checked WignerDReal and is happy :)

@jwa7 jwa7 requested a review from Luthaf January 29, 2025 15:22
Luthaf
Luthaf reviewed Jan 31, 2025
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@jwa7 jwa7 requested a review from Luthaf January 31, 2025 13:14
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Luthaf commented Jan 31, 2025

Thank!

@Luthaf Luthaf merged commit 2c1c4d2 into main Jan 31, 2025
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@Luthaf Luthaf deleted the fix_real2complex branch January 31, 2025 17:15
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@Luthaf Luthaf Luthaf approved these changes

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Errors in Clebsch-Gordan utils
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@ppegolo @Luthaf @jwa7