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cherry pick #338: fix an error in stress by ase interface #964

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amcadmus merged 5 commits intodeepmodeling:develfrom
njzjz:cherry-pick-338
Aug 12, 2021
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cherry pick #338: fix an error in stress by ase interface #964
amcadmus merged 5 commits intodeepmodeling:develfrom
njzjz:cherry-pick-338

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@njzjz njzjz commented Aug 12, 2021

cherry pick #338


- rename for cherry-pick

  • fix an error in stress by ase interface
  • move back

@njzjz njzjz requested a review from amcadmus August 12, 2021 20:50
@njzjz njzjz added this to the v2.0.0 milestone Aug 12, 2021
@njzjz njzjz mentioned this pull request Aug 12, 2021
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codecov-commenter commented Aug 12, 2021

Codecov Report

Merging #964 (e8ccd40) into devel (72aaa9b) will decrease coverage by 0.10%.
The diff coverage is 63.63%.

Impacted file tree graph

@@            Coverage Diff             @@
##            devel     #964      +/-   ##
==========================================
- Coverage   75.51%   75.40%   -0.11%     
==========================================
  Files          85       85              
  Lines        6796     6783      -13     
==========================================
- Hits         5132     5115      -17     
- Misses       1664     1668       +4     
Impacted Files Coverage Δ
deepmd/calculator.py 79.41% <63.63%> (-10.25%) ⬇️
source/op/_gelu.py 71.42% <0.00%> (-6.35%) ⬇️
source/op/_tabulate_grad.py 78.57% <0.00%> (-4.77%) ⬇️
deepmd/train/run_options.py 72.54% <0.00%> (-0.27%) ⬇️
deepmd/loss/ener.py 47.34% <0.00%> (-0.24%) ⬇️
deepmd/train/trainer.py 71.78% <0.00%> (-0.14%) ⬇️
source/op/_prod_force_grad.py 100.00% <0.00%> (ø)
source/op/_prod_virial_grad.py 100.00% <0.00%> (ø)
source/op/_soft_min_force_grad.py 100.00% <0.00%> (ø)
source/op/_prod_force_se_a_grad.py 100.00% <0.00%> (ø)
... and 4 more

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@amcadmus amcadmus merged commit fd397bb into deepmodeling:devel Aug 12, 2021
gzq942560379 pushed a commit to HPC-AI-Team/deepmd-kit that referenced this pull request Sep 2, 2021
…deepmodeling#964)

* rename for cherry-pick

* fix an error in stress by ase interface

(cherry picked from commit a24971f)

* move back

* fix lint error

* fix lint warnings

Co-authored-by: hsulab <ahcigar@foxmail.com>
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4 participants