github zadorlab/sella v2.3.0
Sella 2.3.0

latest releases: v2.5.0, v2.4.2, v2.4.1...
3 years ago

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

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

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