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QMFlows 1.0.0

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@BvB93 BvB93 released this 06 Oct 21:37
d04a9e2

What's Changed

  • ENH: Add support for new CP2K potentials by @BvB93 in #299
  • ENH: QMFlows 1.0.0b1 release by @BvB93 in #300
  • MAINT: General mainteance after the QMFlows 1.0.0b1 release by @BvB93 in #301
  • BLD: Switch from setup.py to pyproject.toml by @BvB93 in #302
  • DOC: Fix documentation building by @BvB93 in #303
  • Bump actions/checkout from 3 to 4 by @dependabot in #304
  • TST: Enable tests for python 3.12 by @BvB93 in #305

New Contributors

Full Changelog: 0.13.0...1.0.0