Release 1.0.0rc1
Pre-release
Pre-release
What's Changed
- Document cli settings by @richardjgowers in #736
- Codecov and pre-commit ci config by @mikemhenry in #738
- Issue 592 alt radial options by @richardjgowers in #737
- Just don't install espaloma charge by @IAlibay in #763
- Fix Issue 683 by @mikemhenry in #767
- Change changelog title name by @IAlibay in #764
- Fixing API settings things by @IAlibay in #766
- docs: update badge on front page by @richardjgowers in #755
- Add warnings & docs for forward and reverse analysis getters by @IAlibay in #749
- Fix ahfe integration tests - missing restraints lamdas by @IAlibay in #750
- Add
NonTransformation
to top level__init__.py
by @IAlibay in #754 - Checkpoint itnterval by @IAlibay in #773
- Some docstring fixes by @IAlibay in #775
- Docs userguide by @richardjgowers in #760
- Update fetch results by @richardjgowers in #779
- update LomapAtomMapper default settings to established best practices by @richardjgowers in #730
Full Changelog: v1.0.0rc0...v1.0.0rc1