Releases: psi-rking/optking
Releases · psi-rking/optking
0.3.0
What's Changed
- Added auxiliary bonds for 1-5 like stretching motions. by @psi-rking in #79
- Adds interfrag_tight to g_convergence option by @AlexHeide in #82
- Initial CG changes by @Michael-D-Opheim in #80
- Gracefully handle single atoms. by @psi-rking in #84
- Stabilize coordinate back-transformations. by @psi-rking in #85
- Tightened up exclusion of redundant coordinate space. by @psi-rking in #86
- Enforce constraints more reliably by @psi-rking in #88
- Updates conda environments for CI by @AlexHeide in #89
- fix build for py312 by @loriab in #90
- qcengine and qcmanybody updates by @loriab in #92
- Image rfo by @AlexHeide in #93
- improved documentation syntax highlighting by @e-kwsm in #94
- code style improvements by @e-kwsm in #95 and #96
New Contributors
- @Michael-D-Opheim made their first contribution in #80
- @e-kwsm made their first contribution in #94
Full Changelog: 0.2.1...0.3.0