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breaking: pt: unify the output of descriptors. #3190

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merged 6 commits into from
Jan 29, 2024

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@wanghan-iapcm wanghan-iapcm requested a review from iProzd January 27, 2024 14:58
@wanghan-iapcm wanghan-iapcm changed the title unify the output of descriptors. breaking: unify the output of descriptors. Jan 27, 2024
@wanghan-iapcm wanghan-iapcm requested a review from njzjz January 27, 2024 14:58
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codecov bot commented Jan 27, 2024

Codecov Report

Attention: 25 lines in your changes are missing coverage. Please review.

Comparison is base (8900561) 74.27% compared to head (80b0ce7) 21.27%.

Files Patch % Lines
deepmd/pt/model/model/dp_atomic_model.py 0.00% 14 Missing ⚠️
deepmd/pt/model/descriptor/se_a.py 0.00% 4 Missing ⚠️
deepmd/pt/model/descriptor/dpa1.py 0.00% 2 Missing ⚠️
deepmd/model_format/se_e2_a.py 0.00% 1 Missing ⚠️
deepmd/pt/model/descriptor/dpa2.py 0.00% 1 Missing ⚠️
deepmd/pt/model/descriptor/repformers.py 0.00% 1 Missing ⚠️
deepmd/pt/model/descriptor/se_atten.py 0.00% 1 Missing ⚠️
deepmd/pt/model/task/ener.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##            devel    #3190       +/-   ##
===========================================
- Coverage   74.27%   21.27%   -53.00%     
===========================================
  Files         343      343               
  Lines       31630    31590       -40     
  Branches     1592     1592               
===========================================
- Hits        23493     6722    -16771     
- Misses       7212    24170    +16958     
+ Partials      925      698      -227     

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@wanghan-iapcm wanghan-iapcm changed the title breaking: unify the output of descriptors. breaking: pt: unify the output of descriptors. Jan 28, 2024
@wanghan-iapcm wanghan-iapcm added the breaking change Breaking changes that should notify users. label Jan 28, 2024
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@Chengqian-Zhang Chengqian-Zhang left a comment

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After this PR is merged, I'll raise a new PR to complete the denoise part separately.

@wanghan-iapcm wanghan-iapcm enabled auto-merge (squash) January 29, 2024 04:03
@wanghan-iapcm wanghan-iapcm merged commit 1e51a88 into deepmodeling:devel Jan 29, 2024
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@njzjz njzjz mentioned this pull request Apr 2, 2024
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4 participants