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lmp: support unit real#2775

Merged
wanghan-iapcm merged 16 commits intodeepmodeling:develfrom
njzjz:lmp-different-unit
Sep 2, 2023
Merged

lmp: support unit real#2775
wanghan-iapcm merged 16 commits intodeepmodeling:develfrom
njzjz:lmp-different-unit

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@njzjz
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@njzjz njzjz commented Sep 1, 2023

Fix #1262.

njzjz added 11 commits July 13, 2023 18:14
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Sep 1, 2023

Codecov Report

Patch coverage: 87.50% and no project coverage change.

Comparison is base (835d6e5) 78.75% compared to head (8a4222e) 78.76%.
Report is 2 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #2775   +/-   ##
=======================================
  Coverage   78.75%   78.76%           
=======================================
  Files         242      242           
  Lines       25641    25653   +12     
  Branches     1517     1518    +1     
=======================================
+ Hits        20193    20205   +12     
  Misses       5058     5058           
  Partials      390      390           
Files Changed Coverage Δ
source/lmp/pair_deepmd.cpp 54.06% <87.50%> (+0.66%) ⬆️

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The output of model deviations are also needed to be converted.

@njzjz njzjz requested a review from wanghan-iapcm September 1, 2023 05:59
@wanghan-iapcm wanghan-iapcm merged commit 94fa534 into deepmodeling:devel Sep 2, 2023
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2 participants