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lmp: remove codes to calculate energy deviation #2492

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merged 1 commit into from
May 3, 2023

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@njzjz njzjz commented Apr 27, 2023

The current code never prints energy deviation, so it is a waste of time computing it.

It seems the current code nevers prints energy deviation, so it is waste time of computing it.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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codecov bot commented Apr 27, 2023

Codecov Report

Patch and project coverage have no change.

Comparison is base (b13b26c) 74.40% compared to head (6f0bfa4) 74.40%.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #2492   +/-   ##
=======================================
  Coverage   74.40%   74.40%           
=======================================
  Files         227      227           
  Lines       23428    23411   -17     
  Branches     1666     1679   +13     
=======================================
- Hits        17431    17419   -12     
+ Misses       4890     4885    -5     
  Partials     1107     1107           
Impacted Files Coverage Δ
source/lmp/pair_deepmd.cpp 48.28% <ø> (-0.49%) ⬇️

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@njzjz njzjz requested a review from wanghan-iapcm April 27, 2023 22:10
@wanghan-iapcm wanghan-iapcm merged commit a8d30c6 into deepmodeling:devel May 3, 2023
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2 participants