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v0.4.5: Out With the Old; In With the New
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@Andrew-S-Rosen Andrew-S-Rosen released this 14 Dec 05:25
· 1583 commits to main since this release
v0.4.5
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Learn about vigilant mode.

[0.4.5]

Added

  • Added ML interatomic potential recipes

Changed

  • ASE optimization log files and pickle files are written to disk by default
  • Deprecated the old Q-Chem recipes and replaced them with the updated versions

Removed

  • Officially drop support of the Prefect workflow engine
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