v3.1.6
A few new useful features, including the possibility of evaluating multiple replicas at once with a batched evaluator, and of having PES files into a custom location
What's Changed
- Update elphmod example by @janberges in #461
- feat/morse by @EliaStocco in #464
- Psiflow PES by @armaet in #466
- the trimsim tool now works with ase formatted output files too by @venkatkapil24 in #468
- Monitor energy conservation in constrained barostats by @ceriottm in #455
- Batch evaluation of replicas using FFDirect by @ceriottm in #471
- Revamped PES organization by @EliaStocco in #472
Full Changelog: v3.1.5.1...v3.1.6