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@t-young31 t-young31 released this 01 Oct 17:21
· 79 commits to master since this release
v1.3.0
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What's Changed

  • Update bond definitions in #151
  • 🐞 Bugfix for orca charge extraction in #154
  • Add frequency scaling in #158
  • Improved on-board constrained optimisation in #153
  • Generalise autodE methods in #161
  • Improve exceptions in #166
  • Remove Python v3.7 support in #170
  • Allow defining a solvent_name in a TSguess in #167
  • Add an adapt.+NEB TS finding method in #171

Full Changelog: v1.2.3...v1.3.0

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