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add aparam_from_compute to pair deepmd #2929

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merged 7 commits into from Oct 18, 2023

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ChiahsinChu
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codecov bot commented Oct 17, 2023

Codecov Report

All modified lines are covered by tests ✅

Comparison is base (f86c42a) 75.29% compared to head (23fe44c) 75.12%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2929      +/-   ##
==========================================
- Coverage   75.29%   75.12%   -0.17%     
==========================================
  Files         245      220      -25     
  Lines       24652    20207    -4445     
  Branches     1585      904     -681     
==========================================
- Hits        18562    15181    -3381     
+ Misses       5159     4493     -666     
+ Partials      931      533     -398     

see 70 files with indirect coverage changes

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source/lmp/pair_deepmd.h Outdated Show resolved Hide resolved
source/lmp/pair_deepmd.cpp Outdated Show resolved Hide resolved
ChiahsinChu and others added 3 commits October 17, 2023 15:09
Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jia-Xin Zhu <53895049+ChiahsinChu@users.noreply.github.com>
@wanghan-iapcm wanghan-iapcm merged commit 1440993 into deepmodeling:devel Oct 18, 2023
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3 participants