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D1.4 release of CP2K QM/MM optimisations

Judge, Holly


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  <dc:creator>Judge, Holly</dc:creator>
  <dc:date>2020-06-25</dc:date>
  <dc: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. </dc:description>
  <dc:identifier>https://zenodo.org/record/3907299</dc:identifier>
  <dc:identifier>10.5281/zenodo.3907299</dc:identifier>
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  <dc:relation>doi:10.5281/zenodo.3907298</dc:relation>
  <dc:relation>url:https://zenodo.org/communities/bioexcel</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://creativecommons.org/licenses/by/4.0/legalcode</dc:rights>
  <dc:title>D1.4 release of CP2K QM/MM optimisations</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
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