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Updated the revise_lmp_input_dump function. #1137

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merged 4 commits into from
Feb 13, 2023
Merged

Updated the revise_lmp_input_dump function. #1137

merged 4 commits into from
Feb 13, 2023

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panxiang126
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Added the model_devi_merge_traj parameter to allow the merging of trajectories into one file using the lmp_input template.

panxiang126 and others added 4 commits February 11, 2023 00:43
Signed-off-by: Pan Xiang <[email protected]>
 Added the `model_devi_merge_traj` parameter to allow the merging of trajectories into one file using the lmp_input template.

Signed-off-by: Pan Xiang <[email protected]>
Signed-off-by: Pan Xiang <[email protected]>
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Add default option to model_devi_merge_traj: False

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Codecov Report

Base: 46.46% // Head: 46.46% // Increases project coverage by +0.00% 🎉

Coverage data is based on head (186d111) compared to base (7a1ceb4).
Patch coverage: 80.00% of modified lines in pull request are covered.

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Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #1137   +/-   ##
=======================================
  Coverage   46.46%   46.46%           
=======================================
  Files          82       82           
  Lines       14538    14540    +2     
=======================================
+ Hits         6755     6756    +1     
- Misses       7783     7784    +1     
Impacted Files Coverage Δ
dpgen/generator/run.py 66.18% <80.00%> (-0.02%) ⬇️

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@wanghan-iapcm wanghan-iapcm merged commit a4eca19 into deepmodeling:devel Feb 13, 2023
@panxiang126 panxiang126 deleted the devel branch February 15, 2023 04:59
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4 participants