1.4.0
What's Changed
- Fix RFO hessian update bug by @shoubhikraj in #254
- Fix tests that use xTB on Windows by @shoubhikraj in #250
- Remove deprecated get method calls by @t-young31 in #238
- Add option to change xTB parameterisation version and temperature by @shoubhikraj in #252
- Add trust-radius quasi-Newton optimiser by @shoubhikraj in #262
- Add exception for NEB init with <2 images by @t-young31 in #270
- Raise exception if prune returns no conformers by @t-young31 in #271
- Fix QChem not using max_core by @t-young31 in #275
- Implement DHS and DHS-GS methods by @shoubhikraj in #272
- macOS multiprocessing bugfix by @shoubhikraj in #278
- Type checking by @t-young31 in #277
- DHS code improvements by @shoubhikraj in #280
- V1.4.0 by @t-young31 in #281
Full Changelog: v1.3.5...v1.4.0