GMSO 0.12.0
Manuscript
Features
- Add position restraints for Site by @daico007 in #770
- Add
to_xml
method to Topology by @chrisjonesBSU in #782 - Update GMSO to work with pydantic 2.0 by @daico007 in #745
- Sorting of improper types by @CalCraven in #796
- Write charge in elementary charge unit (XML writer) by @daico007 in #794
- Support Lammps charmm dihedrals by @CalCraven in #787
Bug fixes
- Fix to bug in handling charge loading for JSON serialization by @CalCraven in #793
- Fix bug in GRO reader by @daico007 in #775
Maintenance
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #772, #779, #784, #790, #791, #800 #772
- Drop support/testing for py3.8 by @daico007 in #781
- Update Dockerfile by @daico007 in #789
Full Changelog: 0.11.2...0.12.0