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@amcadmus amcadmus released this 15 Jun 11:30
· 246 commits to master since this release
0.2.7
64805b9
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Learn about vigilant mode.

New features:

  • add driver plugin system framework; migrate DP predict to DPDriver (#277)
  • add ML labeling option for vasp ml-aimd OUTCAR (#282)
  • add sqm driver (#286)
  • support converting ase.Atoms to System and LabeledSystem (#290)
  • add HybridDriver (#292)
  • add unlabeled abacus STRU read/dump interface (#303)
  • support reading xyz files (#306)

Enhancements:

  • fix reading SQM minimization output (#288)
  • refactor and optimize deepmd/hdf5 MultiSystems (#291)
  • add data type; refactor methods (#299)
  • adapt abacus/md interface to MD output without stress calculation. (#301)
  • dpdata driver <--> ase calculator (#302)

Bug fixings:

  • Fix DeprecationWarning in cp2k output parser (#280)
  • fix EnergyConversion example (#284)
  • fix sqm energy (#283)
  • fix DP driver energy shape (#289)
  • add empty init.py file to subpackages (#295)
  • fix docs in #286 (#308)
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