0.5.0
Pre-release
Pre-release
What's Changed
- Update Packmol defaults by @mattwthompson in #1332
- Fix release history by @mattwthompson in #1373
- Exclude data files from conda/Python packages by @mattwthompson in #1329
- Bump actions/checkout from 5 to 6 by @dependabot[bot] in #1374
- Make
Interchange.topologynot store positions by @mattwthompson in #1376 - Fix virtual site key equality definition by @mattwthompson in #1378
- Update beta workflow by @mattwthompson in #1381
- Use angstroms in docstrings packing functions by @mattwthompson in #1383
- Add serialization section to user guide by @mattwthompson in #1371
- Switch to
setuptools_scmby @mattwthompson in #1387 - Update description of
target_densityusage in release notes by @mattwthompson in #1388 - Fix charge ordering in Amber files by @mattwthompson in #1396
- Update for Mypy 1.19 by @mattwthompson in #1397
- Update examples workflow by @mattwthompson in #1400
- Handle missing positions in
Interchange.from_openmmby @mattwthompson in #1391 - Fix NumPy 2.4 incompatibility by @mattwthompson in #1404
- Migrate project to
pixiby @mattwthompson in #1093 - Upstream #1405 by @mattwthompson in #1406
- Move
get_charge_arraytoElectrostaticsCollectionby @mattwthompson in #1407 - Make 0.5.0 release notes by @mattwthompson in #1408
Full Changelog: v0.4.9...v0.5.0