max-veit/velociraptor: First stable release
Beskrivning
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
Visa merPubliceringsår
2023
Typ av data
Upphovspersoner
Department of Electrical Engineering and Automation
David M Wilkins - Upphovsperson
Max Veit 
The Queen´s University of Belfast - Medarbetare
Zenodo - Utgivare
Projekt
Övriga uppgifter
Vetenskapsområden
Data- och informationsvetenskap
Språk
Öppen tillgång
Öppet