Adding more water models
This release adds the TIP4P-EW, TIP5P, and SPC/E water models. There are also some minor code changes to ensure compatibility with Python 3.12
What's Changed
- Bump codecov/codecov-action from 3 to 4 by @dependabot in #81
- Bump actions/checkout from 3 to 4 by @dependabot in #80
- Revert "Bump codecov/codecov-action from 3 to 4" by @j-wags in #82
- Remove use of
pkg_resources
by @mattwthompson in #78 - Test virtual site weights in water models by @mattwthompson in #87
- Add TIP4P-EW by @mattwthompson in #76
- Add SPC/E by @mattwthompson in #75
- Add TIP5P by @mattwthompson in #85
- Update versioneer setup by @mattwthompson in #91
- Remove more uses of
pkg_resources
by @mattwthompson in #90 - Update virtual site-related tests by @mattwthompson in #92
- Update
setup.py
by @mattwthompson in #88 - Uniformly lint by @mattwthompson in #89
- Do not yet enforce EOF consistency by @mattwthompson in #93
Full Changelog: 2023.08.0...2023.11.0