v3.0rc5
·
111 commits
to master
since this release
What's Changed
New features
- Add partial extended xyz support (#18)
- Add
jhotkey to jump to a frame inside and CLI optionframe:%dto start with a specific frame (#5) - Add
bmaxCLI argument for max. bond length (920202b) - Add
comandexitcomCLI argument forgui:0and on-exit command sequences, respectively - Add
colorsCLI argument for colorscheme (#29) - Python integration (#28, see https://github.com/aligfellow/xyzrender)
Improvements
- New colors by @iribirii (#2, #13, #15, #29)
- Remove case sensitivity of xyz file inputs (#9)
- Add CLI option to disable centering of molecules (#14)
- Disable default rotation wrt inertia axis for z-matrix input and add a CLI option to force it (#14)
- Read molecules from the standard input
Fixes
- Exit correctly when window closed (#10)
- Fix chiral z-matrix input (#14)
- Fix NaNs when compute dihedrals (#14)
Coming in the next version:
- extended xyz (#16, #17)
- fix
readmorebug (#7) - high-symmetry determination bugs (#21)
- how to build on mac
Full Changelog: v2.0...v3.0rc5