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Fix spherical harmonic angle ordering - #2155

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@bkmi

@bkmi bkmi commented Aug 12, 2026

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SciPy's sph_harm_y expects the polar angle before the azimuthal angle. Add degree-one value checks so future convention changes cannot pass with only shape and Y_0^0 coverage.

Thanks @TyBalduf
https://github.com/facebookresearch/fairchem/pull/1736/changes#r3770224272

SciPy's sph_harm_y expects the polar angle before the azimuthal angle. Add degree-one value checks so future convention changes cannot pass with only shape and Y_0^0 coverage.
@meta-cla meta-cla Bot added the cla signed label Aug 12, 2026
@bkmi bkmi added bug Something isn't working patch Patch version release labels Aug 12, 2026
@TyBalduf

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What are the implications of the bug? Was #1717 correct that this file isn't currently referenced/used in the main branch?

@bkmi

bkmi commented Aug 13, 2026

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A quick search reveals that nothing depends on this code. Another option would be to remove the code completely.

@frostedoyster

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@bkmi Where are we using this in the codebase?

@bkmi

bkmi commented Aug 13, 2026

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like I said above, we do not use it in the codebase

@TyBalduf

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A quick search reveals that nothing depends on this code. Another option would be to remove the code completely.

Might be simpler to just remove it. This would I believe also avoid the need to pin scipy 1.17

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This PR has been marked as stale because it has been open for 30 days with no activity.

@github-actions github-actions Bot added the stale label Sep 16, 2026
@github-actions github-actions Bot closed this Sep 30, 2026
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