Protex v1.1.0
This is a new minor release.
What's New
- Changed from setup.py to pyproject.toml
- Handling of Grotthus mechanism is now possible. Details in #56 and #57
You can specify a new keyword "equivalent_atom" in the states dictionary for the templates
What's Changed
- Reorient by @godenymarta in #56
- Update refactor by @florianjoerg in #57
- make a deque(maxlen=10) from history by @godenymarta in #58
- Option to save and load the StateUpdate by @florianjoerg in #59
- Move from versioneer.py to setuptools_scm by @florianjoerg in #61
- ruff, pre-commit by @florianjoerg in #62
- port to pyproject.toml by @florianjoerg in #63
- improve tests by @florianjoerg in #64
- Parmed test by @florianjoerg in #67
- conda-forge by @florianjoerg in #66
Full Changelog: v1.0.0...v1.1.0