Data and Code for 'The Spin-MInt Algorithm: an accurate and symplectic integrator for the spin-mapping representation of nonadiabatic dynamics'

DOI

Data and code for the publication 'The Spin-MInt Algorithm: an Accurate and Symplectic Propagator for the Spin-Mapping Representation of Nonadiabatic Dynamics' which has been accepted at JCP. The python code for all the algorithms can be found in dynamics.py file. Includes the data and plots for the publication. README.txt provides further details. If you have any issues please contact l.cook.18@ucl.ac.uk

Identifier
DOI https://doi.org/10.5522/04/31706686.v1
Related Identifier HasPart https://ndownloader.figshare.com/files/62758690
Metadata Access https://api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:figshare.com:article/31706686
Provenance
Creator Cook, Lauren E. ORCID logo; Hele, Timothy J. H.; Rampton, James
Publisher University College London UCL
Contributor Figshare
Publication Year 2026
Rights https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact researchdatarepository(at)ucl.ac.uk
Representation
Language English
Resource Type Dataset
Discipline Chemistry; Natural Sciences