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QMFlows 0.12.1
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@BvB93 BvB93 released this 18 May 10:55
· 57 commits to master since this release
0.12.1
cd03c1c
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What's Changed

  • MAINT: Explicitly raise when the line with the number of orbitals doesn't have any actual orbitals by @BvB93 in #295
  • ENH: Make the CP2K orbital parser more robust for unrestricted calculations by @BvB93 in #296
  • TST: Redirect test stdout to the qmflows logger and re-enable sphinx tests by @BvB93 in #297
  • ENH: Add two new fields to CP2K MO named tuple by @BvB93 in #298

Full Changelog: 0.12.0...0.12.1

Contributors

BvB93
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