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v0.0.5

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@amcadmus amcadmus released this 19 Sep 04:38
· 185 commits to master since this release
74290e1

New features:

  • support resubmit (#62)
  • show status of workflows (#71)

Enhancements:

  • support environmental variables in op template (#63)
  • add almg example (#65)
  • update param_CH4_deepmd-kit-2.1.1.json (#67)
  • Use big param for scheduler, lmp_task_grp and vasp_inputs (#68 #69 )
  • print step keys in nice format (#70)

Bug fixings:

  • Fix bug: the iter_data dir is not made when the fp output is empty (#61)