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dp test output files: energy per atom, virial per atom#2029

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wanghan-iapcm merged 2 commits into
deepmodeling:develfrom
likefallwind:devel
Oct 29, 2022
Merged

dp test output files: energy per atom, virial per atom#2029
wanghan-iapcm merged 2 commits into
deepmodeling:develfrom
likefallwind:devel

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@likefallwind

@likefallwind likefallwind commented Oct 27, 2022

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add two output files
#2002

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Codecov Report

Base: 73.85% // Head: 42.16% // Decreases project coverage by -31.68% ⚠️

Coverage data is based on head (9185d30) compared to base (00c1b9e).
Patch has no changes to coverable lines.

❗ Current head 9185d30 differs from pull request most recent head 99d79bc. Consider uploading reports for the commit 99d79bc to get more accurate results

Additional details and impacted files
@@             Coverage Diff             @@
##            devel    #2029       +/-   ##
===========================================
- Coverage   73.85%   42.16%   -31.69%     
===========================================
  Files         198       66      -132     
  Lines       19908     6526    -13382     
  Branches      865        0      -865     
===========================================
- Hits        14703     2752    -11951     
+ Misses       4813     3774     -1039     
+ Partials      392        0      -392     
Impacted Files Coverage Δ
source/op/soft_min_virial.cc 3.84% <0.00%> (-90.60%) ⬇️
source/op/soft_min_force.cc 5.00% <0.00%> (-87.86%) ⬇️
source/op/soft_min.cc 3.07% <0.00%> (-87.84%) ⬇️
source/op/pair_tab.cc 2.10% <0.00%> (-87.07%) ⬇️
source/op/ewald_recp.cc 2.77% <0.00%> (-86.51%) ⬇️
source/op/prod_env_mat_multi_device_nvnmd.cc 1.05% <0.00%> (-83.85%) ⬇️
source/op/prod_force.cc 3.77% <0.00%> (-78.14%) ⬇️
source/op/unaggregated_grad.cc 1.19% <0.00%> (-77.11%) ⬇️
source/op/neighbor_stat.cc 1.98% <0.00%> (-76.84%) ⬇️
source/op/prod_virial.cc 3.12% <0.00%> (-76.72%) ⬇️
... and 173 more

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Comment thread deepmd/entrypoints/test.py
@wanghan-iapcm wanghan-iapcm merged commit 32f84cd into deepmodeling:devel Oct 29, 2022
mingzhong15 pushed a commit to mingzhong15/deepmd-kit that referenced this pull request Jan 15, 2023
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[Feature Request] Output per-atom energy/virial or provide number of atoms for dp test

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