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QMFlows 0.11.2

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@BvB93 BvB93 released this 07 Feb 09:14
· 112 commits to master since this release
0.11.2
6383796

What's Changed

  • ENH: Rework the CP2K basis set parser by @BvB93 in #282
  • ENH: Print the basis set name and line number whenever failing to read a CP2K basis set file by @BvB93 in #283
  • BUG: Ensure that basis set coefficients are transposed by @BvB93 in #284
  • REV: Remove the AtomBasisKey.alias field again by @BvB93 in #285

Full Changelog: 0.11.1...0.11.2

Contributors

BvB93
Assets 2
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