max-veit/velociraptor: First stable release
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 Explicitly supported: TENSOAP and librascal
Show moreYear of publication
2023
Type of data
Authors
Department of Electrical Engineering and Automation
David M Wilkins - Creator
Max Veit 
Queen's University Belfast - Contributor
Zenodo - Publisher
Project
Other information
Fields of science
Computer and information sciences
Language
Open access
Open