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Use general ACDC iteration to build Hamiltonian models#5
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Use general ACDC iteration to build Hamiltonian models#5
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Nice to have before merging:
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Luthaf
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Jul 15, 2022
| feature_names=None, | ||
| clebsch_gordan=None, | ||
| lcut=None, | ||
| other_keys_match=None, |
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I don't understand what this is doing, could you add a short documentation/explanation?
| k+("_a" if k in other_keys_b else "") for k in other_keys_a if k not in other_keys_match ] + [ | ||
| k+("_b" if k in other_keys_a else "") for k in other_keys_b if k not in other_keys_match ] | ||
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| # we assume grad components are all the same |
…amples into clean-hamiltonian
…store-examples into clean-hamiltonian
There was a conceptual bug, which was magically solved by some numpy mystery. New numpy version revealed the error.
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Deprecate specialized Hamiltonian / pair features building infrastructure, and use generic CG iterations to construct features and models. Great example of equistore usage.