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Published August 15, 2023 | Version v0.6.10
Software Open

DFTK: The Density-functional toolkit

  • 1. École Polytechnique Federale Lausanne
  • 2. Inria Paris
  • 3. CERMICS, Ecole des Ponts


DFTK v0.6.10

Diff since v0.6.9

Closed issues:

  • Switch to ReTest (#508)
  • Unexpected error when using Crystallographic Information Framework (CIF) File Input (#863)

Merged pull requests:

  • API change for Ewald and pairwise computations (#853) (@epolack)
  • Extend details on precompilation and developer setup (#862) (@mfherbst)
  • Parse element by number (#864) (@mfherbst)
  • Fix GPU CI (again) (#865) (@mfherbst)
  • Fix GPU tests (#867) (@vchuravy)
  • Fix for Ewald (#869) (@epolack)
  • CompatHelper: bump compat for Spglib to 0.7, (keep existing compat) (#870) (@github-actions[bot])
  • Collection of some documentation extensions and bugfixes (#873) (@mfherbst)


Cite this paper whenever you use DFTK.



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