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Add spherical_to_cartesian function #382

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ppegolo opened this issue Feb 13, 2025 · 1 comment
Open

Add spherical_to_cartesian function #382

ppegolo opened this issue Feb 13, 2025 · 1 comment
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enhancement Implementation of new features Python Issues related to the Python API

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@ppegolo
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ppegolo commented Feb 13, 2025

There is a cartesian_to_spherical function in featomic.clebsch_gordan, but no inverse function to transform, e.g., the predictions of spherical models back to Cartesian form.

@ppegolo ppegolo added enhancement Implementation of new features Python Issues related to the Python API labels Feb 13, 2025
@ppegolo ppegolo changed the title Add spherical_to_cartesian function Add spherical_to_cartesian function Feb 13, 2025
@Luthaf
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Luthaf commented Feb 13, 2025

I pushed my work in progress branch for this in the gf/spherical-to-cartesian branch on this repo if someone wants to take over!

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Labels
enhancement Implementation of new features Python Issues related to the Python API
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