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@amcadmus amcadmus released this 21 Jul 08:32
· 194 commits to master since this release
v0.0.4
a171295
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Learn about vigilant mode.

New features:

  • tools for generating alloy confs (#46 #47 )

Enhancements:

  • add LGPL-3.0 license (#50)
  • log the std err of dp train (#52)
  • add docs for api and args (#51 #56 )
  • provide potcars by a map (#54)
  • expand init data system if it is a str (#55)

Bug fixings:

  • Fix typo for Lebesgue (#40)
  • fix bug of creating executor (#41)
  • correct the way of passing type_map to dpdata.MultiSystems (#42)
  • fix bug in select conf. should set type_map when loading lmp traj (#43)
  • pass conv accuracy and max numb iter to submit (#44)
  • fix bug of setting n_sample in a job (#48)
  • raise fatal error and print error message when the iter is not converged and the candidate ratio is 0 (#49)
  • Fix some step configs in submit (#45)
  • support provide lattice as a list (#53)
Assets 2
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