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Clean up C++ API. #409

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amcadmus merged 17 commits intodeepmodeling:apifrom
amcadmus:api
Mar 11, 2021
Merged

Clean up C++ API. #409
amcadmus merged 17 commits intodeepmodeling:apifrom
amcadmus:api

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@amcadmus amcadmus commented Mar 10, 2021

Changes

  • Switch to new interface of neighbor list
  • Add unittests
  • Clean up the code. remove out-dated interfaces and implementations

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codecov-io commented Mar 10, 2021

Codecov Report

Merging #409 (0fa68a1) into api (3c268cb) will decrease coverage by 0.11%.
The diff coverage is 100.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##              api     #409      +/-   ##
==========================================
- Coverage   60.13%   60.02%   -0.12%     
==========================================
  Files          65       65              
  Lines        5163     5148      -15     
==========================================
- Hits         3105     3090      -15     
  Misses       2058     2058              
Impacted Files Coverage Δ
deepmd/entrypoints/freeze.py 19.56% <ø> (ø)
deepmd/infer/data_modifier.py 93.44% <100.00%> (+0.02%) ⬆️
source/op/_tabulate_grad.py 57.14% <0.00%> (-9.53%) ⬇️
source/op/_gelu.py 71.42% <0.00%> (-6.35%) ⬇️
deepmd/loss/tensor.py 55.76% <0.00%> (-0.84%) ⬇️
deepmd/loss/ener.py 7.31% <0.00%> (-0.45%) ⬇️
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 1096174 into deepmodeling:api Mar 11, 2021
gzq942560379 pushed a commit to HPC-AI-Team/deepmd-kit that referenced this pull request Sep 1, 2021
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3 participants