max-veit/velociraptor: First stable release

  • Max Veit (Creator)
  • David M. Wilkins (Creator)



Post-hoc tagging this latest stable version as a release, since it's essentially the version used in both of the papers that used this code: dipoles paper and BaTiO3 paper. Features: Fit SOAP-based scalar and vector models for the molecular dipole Use (λ-)SOAP kernels from arbitrary source Explicitly supported: TENSOAP and librascal
Koska saatavilla2023

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