Sella 2.3.0

ehermes released this 14 Jun 21:05

· 45 commits to master since this release

What's Changed

Make IRC forward/reverse direction choice deterministic by @mjohnson541 in #15
Add external Hessian function calculation to Sella by @ehermes in #19
Add the ability to define custom internal coordinates and constraints by @ehermes in #21

New Contributors

@mjohnson541 made their first contribution in #15

Full Changelog: v2.1.0...v2.3.0

Contributors

ehermes and mjohnson541

Assets 2