Published March 6, 2023 | Version v1.0.0
Software Open

max-veit/velociraptor: First stable release

  • 1. Aalto University
  • 2. School of Mathematics and Physics, Queen's University Belfast

Description

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

Files

max-veit/velociraptor-v1.0.0.zip

Files (64.6 kB)

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Additional details

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