Published June 25, 2020 | Version v1
Software Open

D1.4 release of CP2K QM/MM optimisations

Creators

  • 1. EPCC, University of Edinburgh

Description

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. 

Files

Files (79.3 MB)

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md5:9fba2bb4a4d863aa3d2292f5bcc0f083
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