deepmodeling / dpgen2

2nd generation of the Deep Potential GENerator
https://docs.deepmodeling.com/projects/dpgen2/
GNU Lesser General Public License v3.0
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Feat calypso op #188

Closed wangzyphysics closed 6 months ago

wangzyphysics commented 7 months ago

4 calypso related ops have been added:

And 4 ops compose 2 superpos: The superop caly_evo_step.py consists of the second and third op. The super op prep_run_calypso.py consists of the first op, the super caly_evo_step.py and the forth op.

codecov[bot] commented 6 months ago

Codecov Report

Attention: 109 lines in your changes are missing coverage. Please review.

Comparison is base (c0f1973) 87.56% compared to head (e42c3bb) 86.85%. Report is 1 commits behind head on master.

Files Patch % Lines
dpgen2/op/run_caly_model_devi.py 56.77% 51 Missing :warning:
dpgen2/entrypoint/submit.py 23.07% 30 Missing :warning:
dpgen2/op/collect_run_caly.py 90.66% 7 Missing :warning:
...n2/exploration/task/make_task_group_from_config.py 78.57% 6 Missing :warning:
dpgen2/superop/caly_evo_step.py 90.90% 5 Missing :warning:
dpgen2/superop/prep_run_calypso.py 91.52% 5 Missing :warning:
dpgen2/op/prep_run_dp_optim.py 95.52% 3 Missing :warning:
dpgen2/exploration/task/caly_task_group.py 98.03% 1 Missing :warning:
dpgen2/flow/dpgen_loop.py 75.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #188 +/- ## ========================================== - Coverage 87.56% 86.85% -0.72% ========================================== Files 83 92 +9 Lines 4183 4763 +580 ========================================== + Hits 3663 4137 +474 - Misses 520 626 +106 ```

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