Judge, Holly
2020-06-25
<p>Snapshot of official CP2K repository (github.com/cp2k/cp2k) at commit 6e0731f2f85978fc7cc999f769225a6f93d97a1e, which includes all code optimisations done by BioExcel that were reported as part of D1.4. </p>
https://doi.org/10.5281/zenodo.3907299
oai:zenodo.org:3907299
Zenodo
https://zenodo.org/communities/bioexcel
https://doi.org/10.5281/zenodo.3907298
info:eu-repo/semantics/openAccess
Creative Commons Attribution 4.0 International
https://creativecommons.org/licenses/by/4.0/legalcode
D1.4 release of CP2K QM/MM optimisations
info:eu-repo/semantics/other