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lmp: add the header for atomic model deviation #2778

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merged 2 commits into from Sep 4, 2023

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@njzjz njzjz commented Sep 1, 2023

Previously, the header line does not have columns for atomic model deviation.

njzjz and others added 2 commits September 1, 2023 15:56
Previously, the header line does not have columns for atomic model deviation.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Sep 1, 2023

Codecov Report

Patch coverage: 75.00% and no project coverage change.

Comparison is base (a73324a) 78.74% compared to head (23f6371) 78.75%.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #2778   +/-   ##
=======================================
  Coverage   78.74%   78.75%           
=======================================
  Files         242      242           
  Lines       25641    25644    +3     
  Branches     1517     1518    +1     
=======================================
+ Hits        20192    20196    +4     
+ Misses       5059     5057    -2     
- Partials      390      391    +1     
Files Changed Coverage Δ
source/lmp/pair_deepmd.cpp 53.44% <75.00%> (+0.04%) ⬆️

... and 2 files with indirect coverage changes

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@wanghan-iapcm wanghan-iapcm merged commit 785f4d7 into deepmodeling:devel Sep 4, 2023
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2 participants