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Adding gaussian normalization#35

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arthur-lin1027 merged 17 commits intomaincersonsky-lab/AniSOAP:mainfrom normalized_mvgcersonsky-lab/AniSOAP:normalized_mvgCopy head branch name to clipboardMay 21, 2024

+220-16

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Commits on May 2, 2024

• Adding gaussian normalization

  

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• Updating re: metatensor

  

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• incorporated the other constant term when evaluating new gaussian parameters

  

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• slight but likely important change in constant factor

  

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• linting

  

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• I think this might be more correct -- I thought lengths were diameters before

  

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• Making rascaline edits

  

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• Adding gaussian normalization

  

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  4b5f7bf

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• Updating re: metatensor

  

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  c44d65f

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• incorporated the other constant term when evaluating new gaussian parameters

  

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• merging remote to local

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• Another fix

  

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• fixed failing tests

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• linter

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• added normalization factor to test_convergence

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• renamed jupyter notebook

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Commits on May 21, 2024

• Changed constant in monomial basis to be 0, rather than 1

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