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Version 0.1.3

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@mjwen mjwen released this 19 Aug 19:35
  • add RMSE and Fisher information analyzers
  • allow configuration weight for ML models
  • add write optimizer state dictionary for ML models
  • combine functions generate_training_fingerprints() and generate_test_fingerprints() of descriptor to generate_fingerprints() (supporting passing mean and stdev file)
  • rewrite symmetry descriptors to share with KIM driver