0.5.3

What's Changed

• Invalidate OpenMM caches at export time by @mattwthompson in #1452
• Migrate Pixi config from pyproject.toml to pixi.toml by @Copilot in #1459
• Fix behavior of charge_from_molecules being empty by @mattwthompson in #1462
• Skip flaky test for now by @mattwthompson in #1472
• Update charge assignment hierarchy docs for NAGL charges by @mattwthompson in #1468
• Update citation guidelines by @mattwthompson in #1470
• Use openff-packmol by @mattwthompson in #1423
• Ensure box vectors are stored with nanometers by @mattwthompson in #1481
• Drop support for Python 3.11 by @mattwthompson in #1474
• Change charge logging level to logging.DEBUG by @mattwthompson in #1487
• Log charge provenance once per unique molecule by @mattwthompson in #1488
• Clear internal caches when re-creating from same SMIRNOFF objects by @mattwthompson in #1456
• Finalize 0.5.3 release notes by @mattwthompson in #1495

New Contributors

• @Copilot made their first contribution in #1459

Full Changelog: v0.5.2...v0.5.3