March 22, 2023 Software Open Access

Herbst, Michael F.; Levitt, Antoine; Cancès, Eric

Dublin Core Export

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<oai_dc:dc xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:creator>Herbst, Michael F.</dc:creator>
  <dc:creator>Levitt, Antoine</dc:creator>
  <dc:creator>Cancès, Eric</dc:creator>
  <dc:date>2023-03-22</dc:date>
  <dc:description>DFTK v0.6.5
Diff since v0.6.4
Closed issues:

Support ARM / aarch64 / "Apple silicon" M-series processors  (#820)
Julia Nightly tests failing (#826)
Usage Support: Adding DFTK.jl to Matsci Discourse Community (#833)

Merged pull requests:

Non-linear core correction and pseudopotential density guess (#766) (@azadoks)
Fixing some documentation layouts &amp; duplicate (#815) (@epolack)
Model update constructor (#816) (@mfherbst)
MPI Allreduce fallbacks for aarch64 support (#821) (@azadoks)
Fix fast test execution (#827) (@epolack)
Fix Hamiltonian application for nonstandard models (#829) (@antoine-levitt)
Bump actions/checkout from 2 to 3 (#830) (@dependabot[bot])
Bump codecov/codecov-action from 2 to 3 (#831) (@dependabot[bot])
Fixing documentation links (#832) (@epolack)
Update introductory resources and publications (#834) (@mfherbst)
</dc:description>
  <dc:description>Cite this paper whenever you use DFTK.</dc:description>
  <dc:identifier>https://zenodo.org/record/7759919</dc:identifier>
  <dc:identifier>10.5281/zenodo.7759919</dc:identifier>
  <dc:identifier>oai:zenodo.org:7759919</dc:identifier>
  <dc:relation>url:https://github.com/JuliaMolSim/DFTK.jl/tree/v0.6.5</dc:relation>
  <dc:relation>doi:10.5281/zenodo.3541724</dc:relation>
  <dc:rights>info:eu-repo/semantics/openAccess</dc:rights>
  <dc:rights>https://opensource.org/licenses/MIT</dc:rights>
  <dc:title>DFTK: The Density-functional toolkit</dc:title>
  <dc:type>info:eu-repo/semantics/other</dc:type>
  <dc:type>software</dc:type>
</oai_dc:dc>