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Implement convenience calculator EquivariantPowerSpectrum#329

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jwa7 wants to merge 2 commits intomainfrom
eqpowspec
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Implement convenience calculator EquivariantPowerSpectrum#329
jwa7 wants to merge 2 commits intomainfrom
eqpowspec

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@jwa7
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@jwa7 jwa7 commented Sep 20, 2024


📚 Documentation preview 📚: https://rascaline--329.org.readthedocs.build/en/329/

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github-actions Bot commented Sep 20, 2024

Here is a pre-built version of the code in this pull request: wheels.zip, you can install it locally by unzipping wheels.zip and using pip to install the file matching your system

Comment thread python/rascaline-torch/tests/utils/equivariant_power_spectrum.py
Comment thread python/rascaline/tests/utils/equivariant_power_spectrum.py
Comment thread python/rascaline/tests/utils/equivariant_power_spectrum.py
from ._density_correlations import _filter_redundant_keys


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

@Luthaf
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Luthaf commented Sep 26, 2024

The CI failure should also be fixed by #331, so you should rebase this branch!

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jwa7 commented Dec 10, 2024

Closing this PR. New PR built on top of the new featomic post-rename and code restructure in #360 .

@jwa7 jwa7 closed this Dec 10, 2024
@Luthaf Luthaf deleted the eqpowspec branch December 10, 2024 16:29
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