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@wanghan-iapcm wanghan-iapcm released this 15 Jun 07:36
· 207 commits to master since this release
v0.0.3
2ea1eb7
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Learn about vigilant mode.

New feature:

  • Implement step configuration (#38)

Enhancement:

  • VaspInputs changed from Parameter to Artifact (#31)
  • vasp command run in shell. print out and err msg when vasp fails (#32)
  • update submit. create empty dir when no data is selected (#33)
  • print error and output messages at dp train fatal error (#35)
  • make the init model optional artifact (#36 #37 )
  • implement exploration report by BigParameter (#39)

Bug fixings

  • Fix bugs: running lmp and loading traj in conf selection (#30)
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