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deepmodeling / deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics
https://docs.deepmodeling.com/projects/deepmd/
GNU Lesser General Public License v3.0
1.41k stars 486 forks source link

fix(tf): prevent `fitting_attr` variable scope from becoming `fitting_attr_1` #3930

Closed njzjz closed 2 days ago

njzjz commented 5 days ago

Fix #3928. Prevent fitting_attr from becoming fitting_attr_1.

Summary by CodeRabbit

coderabbitai[bot] commented 5 days ago

Walkthrough

The recent changes focus on modifying the reuse parameter in TensorFlow's tf.variable_scope function calls throughout multiple files in the deepmd module. Specifically, the parameter is set from a variable to tf.AUTO_REUSE for consistency and to potentially avoid errors related to variable reuse.

Changes

Files Modified Change Summary
deepmd/tf/descriptor/se_a_mask.py Changed reuse parameter in tf.variable_scope to tf.AUTO_REUSE.
deepmd/tf/fit/dos.py Changed reuse parameter in tf.variable_scope to tf.AUTO_REUSE.
deepmd/tf/fit/ener.py Changed reuse parameter in tf.variable_scope from a variable to tf.AUTO_REUSE.

Sequence Diagram(s)

[Not applicable: Changes involve simple substitutions in parameter values for existing function calls and do not modify control flow or functionalities substantially.]

Assessment against linked issues

Objective Addressed Explanation
Fix error when loading a model with the se_a_mask descriptor (#3928) ✅

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codecov[bot] commented 5 days ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 82.87%. Comparing base (20aeaf8) to head (70d4d4e).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #3930 +/- ## ========================================== - Coverage 82.88% 82.87% -0.01% ========================================== Files 520 520 Lines 50679 50678 -1 Branches 3015 3015 ========================================== - Hits 42003 42001 -2 + Misses 7740 7738 -2 - Partials 936 939 +3 ```

:umbrella: View full report in Codecov by Sentry.
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njzjz commented 5 days ago

It looks something goes wrong in the UT...