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refactor update_sel #2901

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merged 4 commits into from
Oct 5, 2023
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@njzjz njzjz commented Oct 4, 2023

The current update_sel has too many complex conditionals. This PR rewrites them in the Model and Descriptor classes, which makes it easier to maintain the existing classes and implement new classes.

Signed-off-by: Jinzhe Zeng <[email protected]>
(cherry picked from commit b5befb61023f774a933ed66455d83b1012ea436b)
Signed-off-by: Jinzhe Zeng <[email protected]>
@github-actions github-actions bot added the Python label Oct 4, 2023
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codecov bot commented Oct 4, 2023

Codecov Report

Attention: 4 lines in your changes are missing coverage. Please review.

Comparison is base (f256dff) 75.46% compared to head (974f203) 75.49%.

Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #2901      +/-   ##
==========================================
+ Coverage   75.46%   75.49%   +0.03%     
==========================================
  Files         244      244              
  Lines       24522    24569      +47     
  Branches     1580     1580              
==========================================
+ Hits        18505    18548      +43     
- Misses       5086     5090       +4     
  Partials      931      931              
Files Coverage Δ
deepmd/descriptor/hybrid.py 61.29% <100.00%> (+2.19%) ⬆️
deepmd/descriptor/loc_frame.py 95.41% <100.00%> (+0.10%) ⬆️
deepmd/descriptor/se.py 82.75% <100.00%> (+3.59%) ⬆️
deepmd/descriptor/se_a_ef.py 53.80% <100.00%> (+0.25%) ⬆️
deepmd/descriptor/se_atten.py 94.04% <100.00%> (+0.07%) ⬆️
deepmd/entrypoints/train.py 84.25% <100.00%> (-3.41%) ⬇️
deepmd/model/frozen.py 81.48% <100.00%> (+1.08%) ⬆️
deepmd/model/linear.py 77.38% <100.00%> (+1.43%) ⬆️
deepmd/model/multi.py 78.54% <100.00%> (+0.47%) ⬆️
deepmd/model/pairwise_dprc.py 93.75% <100.00%> (+0.25%) ⬆️
... and 2 more

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@njzjz njzjz marked this pull request as ready for review October 5, 2023 02:44
@njzjz njzjz requested a review from wanghan-iapcm October 5, 2023 02:45
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2 participants