Implement convenience calculator EquivariantPowerSpectrum
#329
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Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping |
Luthaf
reviewed
Sep 25, 2024
python/rascaline/rascaline/utils/clebsch_gordan/_density_correlations.py
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python/rascaline/rascaline/utils/clebsch_gordan/_equivariant_power_spectrum.py
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| from ._density_correlations import _filter_redundant_keys | ||
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| class EquivariantPowerSpectrum(TorchModule): |
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Suggested change
| class EquivariantPowerSpectrum(TorchModule): | |
| class EquivariantSoapPowerSpectrum(TorchModule): |
Should we refer to SOAP here? it makes the class name a bit longer, but I could live with it
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I'm super convinced about this one, but happy for you to decide
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The CI failure should also be fixed by #331, so you should rebase this branch! |
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📚 Documentation preview 📚: https://rascaline--329.org.readthedocs.build/en/329/