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Fix: tf dipole atomic key #3975

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merged 1 commit into from
Jul 14, 2024

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anyangml
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@anyangml anyangml commented Jul 13, 2024

I believe this should fix #3970

Summary by CodeRabbit

  • Bug Fixes
    • Updated label naming convention from "atomic_" to "atom_" to ensure consistency in labeling.

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coderabbitai bot commented Jul 13, 2024

Walkthrough

Walkthrough

The recent change in the deepmd/tf/loss/tensor.py file involves a minor but significant update in the naming convention within the label_requirement method. Specifically, the prefix for labels has been altered from "atomic_" to "atom_", which will affect how labels are referred to throughout the code wherever this method is used.

Changes

Files Change Summary
deepmd/tf/loss/tensor.py Changed label prefix from "atomic_" to "atom_" in label_requirement method

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codecov bot commented Jul 13, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 82.83%. Comparing base (37bee25) to head (772e372).
Report is 109 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel    #3975   +/-   ##
=======================================
  Coverage   82.82%   82.83%           
=======================================
  Files         522      522           
  Lines       50867    50867           
  Branches     3015     3020    +5     
=======================================
+ Hits        42133    42135    +2     
  Misses       7794     7794           
+ Partials      940      938    -2     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

@anyangml anyangml requested a review from njzjz July 13, 2024 16:38
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I retry the steps in #3970 and it works.

@njzjz njzjz enabled auto-merge July 13, 2024 22:31
@njzjz njzjz linked an issue Jul 13, 2024 that may be closed by this pull request
@njzjz njzjz added this pull request to the merge queue Jul 13, 2024
Merged via the queue into deepmodeling:devel with commit e7add45 Jul 14, 2024
61 checks passed
mtaillefumier pushed a commit to mtaillefumier/deepmd-kit that referenced this pull request Sep 18, 2024
I believe this should fix deepmodeling#3970 

<!-- This is an auto-generated comment: release notes by coderabbit.ai
-->

## Summary by CodeRabbit

- **Bug Fixes**
- Updated label naming convention from "atomic_" to "atom_" to ensure
consistency in labeling.

<!-- end of auto-generated comment: release notes by coderabbit.ai -->
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[BUG] KeyError of atomic_dipole or atom_dipole
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