0.4.2
Pre-release
Pre-release
What's Changed
- Read GROMACS topology files split into
.itp
files by @mattwthompson in #1120 - Add center-of-mass motion remover in OpenMM export by @mattwthompson in #1133
- Cache some charge increment calculations by @mattwthompson in #1126
- Handle OpenMM version parsing in regression tests by @mattwthompson in #1140
- Document why
tolerance
is removed from box edges by @mattwthompson in #1159 - Document sharp edge of charges and
Interchange.combine
by @mattwthompson in #1155 - Error when non-bonded 1-4 scaling factors differ significantly by @mattwthompson in #1153
- Fixing some packmol interface docs. by @IAlibay in #1163
- Update experimental tag on examples, tests, experimental docs by @mattwthompson in #1150
- Finalize 0.4.2 release notes by @mattwthompson in #1171
New Contributors
Full Changelog: v0.4.1...v0.4.2