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Chore: refactor atomic bias #3654

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merged 32 commits into from
Apr 11, 2024
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@anyangml anyangml commented Apr 8, 2024

var_name is no longer required as user input for polar and dipole.

@github-actions github-actions bot added the Python label Apr 8, 2024
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codecov bot commented Apr 8, 2024

Codecov Report

Attention: Patch coverage is 99.00990% with 1 lines in your changes are missing coverage. Please review.

Project coverage is 81.87%. Comparing base (fd2daeb) to head (c585206).

Files Patch % Lines
deepmd/pt/utils/stat.py 98.94% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            devel    #3654      +/-   ##
==========================================
+ Coverage   81.85%   81.87%   +0.02%     
==========================================
  Files         503      503              
  Lines       46504    46570      +66     
  Branches     2952     2952              
==========================================
+ Hits        38064    38129      +65     
- Misses       7547     7548       +1     
  Partials      893      893              

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@anyangml anyangml added the breaking change Breaking changes that should notify users. label Apr 9, 2024
@anyangml anyangml requested a review from wanghan-iapcm April 9, 2024 05:36
@anyangml anyangml requested a review from njzjz April 9, 2024 05:36
deepmd/entrypoints/test.py Outdated Show resolved Hide resolved
@anyangml anyangml removed the breaking change Breaking changes that should notify users. label Apr 10, 2024
@anyangml anyangml requested a review from njzjz April 10, 2024 03:22
deepmd/dpmodel/fitting/dipole_fitting.py Outdated Show resolved Hide resolved
deepmd/dpmodel/fitting/polarizability_fitting.py Outdated Show resolved Hide resolved
deepmd/pt/utils/stat.py Outdated Show resolved Hide resolved
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@anyangml anyangml requested a review from wanghan-iapcm April 10, 2024 05:33
@wanghan-iapcm wanghan-iapcm added this pull request to the merge queue Apr 11, 2024
Merged via the queue into deepmodeling:devel with commit a26b680 Apr 11, 2024
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3 participants