D1.4 release of CP2K QM/MM optimisations
Holly Judge · Edinburgh Research Explorer (University of Edinburgh) · 2020
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.