Skip to content

pyiron_potentialfit-0.3.8

Latest
Compare
Choose a tag to compare
@pmrv pmrv released this 11 Dec 12:33
7ee21cf

What's Changed

Features

  • Use DistanceFilter more and allow uniform use of min_dist as a dict by @pmrv in #154
  • Assyst stability by @pmrv in #159
  • Add support for ACE in assyst tools by @pmrv in #160
  • Added testing datasets as TrainingContainers by @HaithamGaafer in #167
  • Parsing time from logfile for training/testing Loss and Ladder steps by @HaithamGaafer in #168
  • Added testing_data property similar to training_data by @HaithamGaafer in #172
  • Implement new add_testing methods for Mlip by @pmrv in #179

Bug Fixes

Version Bumps

  • Use _from_dict methods in LammpsMlip by @pmrv in #152
  • Save job id of training containers in pacemaker jobs by @pmrv in #151
  • Only read training job id when present by @pmrv in #153
  • Update pyiron/actions version to 3.3.3 by @pmrv in #178
  • Bump pyiron-base from 0.9.11 to 0.10.9 by @dependabot in #175

New Contributors

Full Changelog: pyiron_potentialfit-0.3.7...pyiron_potentialfit-0.3.8