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D1.4 release of CP2K QM/MM optimisations

Judge, Holly

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. 

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Publication date:
June 25, 2020
DOI:
10.5281/zenodo.3907299

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