What's Changed
- Template by @t-young31 in #326
- Improve string parsing in reaction.delta method by @NilsHeunemann in #325
- fix no solvent by @t-young31 in #334
- Fix error in "atoms_to_xyz_file()" in "input_output.py" by @SijieFu in #332
- Allow saving coordinate trajectory on disk by @shoubhikraj in #329
- Refactor Hessian update by @shoubhikraj in #337
- DHS improvements by @shoubhikraj in #338
- DHS variable step size by @shoubhikraj in #342
New Contributors
- @NilsHeunemann made their first contribution in #325
- @SijieFu made their first contribution in #332
Full Changelog: v1.4.2...v1.4.3
Contributors
shoubhikraj, t-young31, and 2 other contributors