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Skala version 2026.2

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@awvwgk awvwgk released this 05 May 11:56
· 16 commits to main since this release
v2026.2
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Changelog

  • Update ftorch example for Skala-1.1 by @awvwgk in #49, #52
  • Add mypy check to CI and skip ASE tests when package missing by @gncs in #51
  • Update author list in citation file by @awvwgk & @denizgunc in #54, #56
  • Implement support for SCAN, rSCAN and r²SCAN as traditional functionals by @awvwgk in #55
  • Fix second-order SCF used in geometry optimization by @CW-Huang in #57
  • Allow using ASE calculator on GPU by @awvwgk in #58

Full Changelog: v2026.1...v2026.2

Contributors

gncs, CW-Huang, and 2 other contributors
Assets 2
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