0.4.0rc1

What's Changed

• Migrate to Pydantic v2 by @mattwthompson in #964
• Make Interchange.topology a required field by @mattwthompson in #995
• Collection ergonomics by @Yoshanuikabundi in #990
• Improve documentation of from_openmm and related features by @mattwthompson in #1008
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #1025
• Simplify access to Pydantic v1 API by @mattwthompson in #1026
• Migrate formatting to ruff by @mattwthompson in #1032
• Convenience methods for producing run input files by @Yoshanuikabundi in #1027
• Do not write vacuum simulations to GROMACS files by @mattwthompson in #1034
• API cleanup by @mattwthompson in #1043
• Add amber example by @mattwthompson in #1046
• Add to_amber convenience method by @mattwthompson in #1041
• Fix default .charges by @mattwthompson in #1066
• Use update instead of assignment to set _charges by @ntBre in #1069
• Log packing failures by @mattwthompson in #1067
• Error if HMR results in negative particle mass by @mattwthompson in #1065
• Clarify to_openmm_simulation docstring and rename to_lammps(file_path) arg to prefix by @Yoshanuikabundi in #1042
• Fix regression tests by @mattwthompson in #1073
• Add high-level positions getter, exclude virtual sites by default by @mattwthompson in #1074
• Export positions with virtual sites by default by @mattwthompson in #1078
• Decrease default density in Packmol wrappers by @mattwthompson in #1068
• Update topology/system particle bookkeeping in OpenMM by @mattwthompson in #1051
• Document that topology charges are ignored by @mattwthompson in #1064

New Contributors

• @ntBre made their first contribution in #1069

Full Changelog: v0.3.29...v0.4.0rc1