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@amcadmus amcadmus released this 27 Aug 14:03
· 445 commits to master since this release
e9d5952

New features:

  • Allow user defined forward_common_files and backward_files (#482)
  • Adaptive trust levels (#495)
  • Support relative force model deviation by normalizing the RMS force magnitude (#496)

Enhancement:

  • Update gromacs model devi engine #493
  • add delete_apg interface in dpgen/dispatcher/ALI.py #519

Bug fixings:

  • fix bug with 1-dim model_devi_activation_func (#484)
  • exclude no converged task for cp2k fp (#486)
  • rename n_neuron to neuron (#492)
  • delete dump.0.xyz in back_forward file #498
  • cant get group_size in older ALI-Dispatcher #520