chore: improve neighbor stat log

[njzjz]

Summary by CodeRabbit

• Documentation
  • Improved logging statements in the NeighborStat class for better clarity and detail
  • Enhanced log messages to include more descriptive information about neighbor distances and sizes

[Copilot]

Copilot reviewed 1 out of 1 changed files in this pull request and generated 1 comment.

Comments suppressed due to low confidence (1)

deepmd/utils/neighbor_stat.py:85

• The str() conversion for max_nbor_size is unnecessary and can be directly included in the f-string.

log.info(f"Neighbor statistics: training data with maximum neighbor size: {str(max_nbor_size)} (cutoff radius: {self.rcut:f})")

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📝 Walkthrough

Walkthrough

The pull request introduces modifications to the logging statements in the NeighborStat class within the deepmd/utils/neighbor_stat.py file. The changes focus on improving the clarity and detail of log messages related to neighbor distance and size statistics. The core functionality of the method remains unchanged, with only the logging format being updated to provide more descriptive information, including the cut-off radius in the maximum neighbor size log message.

Changes

File	Change Summary
deepmd/utils/neighbor_stat.py	Updated logging statements in get_stat method to provide more descriptive and detailed log messages about neighbor distances and sizes

Note: No changes were made to method signatures, parameters, or return types, and the underlying logic of the method remains the same.

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• deepmd/utils/neighbor_stat.py (1 hunks)

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🔇 Additional comments (1)

deepmd/utils/neighbor_stat.py (1)

84-89: Use consistent decimal precision for floating-point values.

The logging statements look good, but the floating-point format should be consistent.

Apply this diff to ensure consistent decimal places:

-            f"Neighbor statistics: training data with minimal neighbor distance: {min_nbor_dist:f}"
+            f"Neighbor statistics: training data with minimal neighbor distance: {min_nbor_dist:.6f}"
-            f"Neighbor statistics: training data with maximum neighbor size: {max_nbor_size!s} (cutoff radius: {self.rcut:f})"
+            f"Neighbor statistics: training data with maximum neighbor size: {max_nbor_size!s} (cutoff radius: {self.rcut:.6f})"

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[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.60%. Comparing base (a3242c4) to head (30b454d).
Report is 1 commits behind head on devel.

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #4561      +/-   ##
==========================================
- Coverage   84.60%   84.60%   -0.01%     
==========================================
  Files         680      680              
  Lines       64468    64469       +1     
  Branches     3538     3539       +1     
==========================================
- Hits        54546    54545       -1     
- Misses       8781     8782       +1     
- Partials     1141     1142       +1     

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Copilot reviewed 1 out of 1 changed files in this pull request and generated no comments.