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Equivariant powerspectrum by pair #378

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merged 36 commits into from
Feb 10, 2025
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@ppegolo ppegolo commented Jan 30, 2025

Fixes #375

Implementation of EquivariantPowerSpectrumByPair

📚 Download documentation for this pull-request

@ppegolo ppegolo requested review from jwa7 and Luthaf January 31, 2025 12:11
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Looks good! Just some torch tests and docs and changelog :)

ppegolo and others added 14 commits January 31, 2025 14:46
@ppegolo ppegolo requested a review from jwa7 January 31, 2025 17:20
@ppegolo ppegolo marked this pull request as ready for review January 31, 2025 17:21
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Done

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Looks great thanks! Just a few comments :)

@ppegolo ppegolo requested a review from jwa7 February 3, 2025 15:06
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ppegolo commented Feb 3, 2025

The tests will need metatensor/metatensor#839 to pass.

@jwa7 jwa7 merged commit 4ef2748 into main Feb 10, 2025
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@jwa7 jwa7 deleted the equivariant_powerspectrum_by_pair branch February 10, 2025 20:59
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Implement EquivariantPowerSpectrumByPair convenience calculator
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