Release History

Releases follow the major.minor.micro scheme recommended by PEP440, where

  • major increments denote a change that may break API compatibility with previous major releases

  • minor increments add features but do not break API compatibility

  • micro increments represent bugfix releases or improvements in documentation

Current development


  • #141: Update badges

  • #143: Pin to legacy QCArchive software

  • #145: Update versioneer for Python 3.12 compatibility

  • #147: Avoid internally throwing AtomMappingWarning

  • #148: Stage Pydantic v2 compatibility

  • #150: Move tests modules to private API

  • #151: Optionally generate Psi4 ESPs with multiple threads


This release re-introduces virtual site support and is only compatible with OpenFF Toolkit versions 0.11.0 and newer.