fix: fix unit display in dp test #4980

njzjz · 2025-09-17T08:10:49Z

Summary by CodeRabbit

Style
- Simplified RMSE log messages by removing the " eV/Å" unit suffix for WFC, Polarizability, and Dipole metrics in both per-system and aggregated outputs.
- Minor wording and formatting tweaks in test/log output messages; no changes to calculations, reported values, or program behavior.

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>

Copilot

Pull Request Overview

This PR fixes incorrect unit display in the dp test command by removing "eV/Å" units from WFC, polarizability, and dipole RMSE output messages.

Removes incorrect "eV/Å" unit suffixes from RMSE logging statements
Affects WFC, polarizability, and dipole test output formatting
Ensures unit display consistency in test result outputs

coderabbitai · 2025-09-17T08:15:18Z

📝 Walkthrough

Walkthrough

Updated user-facing log messages in deepmd/entrypoints/test.py: removed " eV/Å" unit suffixes and converted some log lines to f-strings; no changes to calculation logic, control flow, or exported API.

Changes

Cohort / File(s)	Summary
Logging text updates `deepmd/entrypoints/test.py`	Removed " eV/Å" unit suffix from RMSE log outputs for WFC, Polarizability, and Dipole (per-system and aggregated); converted some log lines to f-strings. No logic or control-flow changes.

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~2 minutes

Possibly related PRs

fix: change eV/A to eV/Å for dp test #4978 — Edits unit notation in the same RMSE logging messages (changes "eV/A" → "eV/Å"); closely related to logging/unit-text adjustments.

Suggested reviewers

wanghan-iapcm

Pre-merge checks and finishing touches

✅ Passed checks (3 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title Check	✅ Passed	The title "fix: fix unit display in dp test" directly reflects the primary change in the changeset—adjusting unit display in dp test log messages (deepmd/entrypoints/test.py)—and is specific and relevant to the PR. The repetition of "fix" is mildly redundant but does not make the title misleading or unrelated to the changes.
Docstring Coverage	✅ Passed	Docstring coverage is 100.00% which is sufficient. The required threshold is 80.00%.

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deepmd/entrypoints/test.py (4 hunks)

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deepmd/entrypoints/test.py

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Actionable comments posted: 1

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deepmd/entrypoints/test.py (4 hunks)

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🔇 Additional comments (3)

deepmd/entrypoints/test.py (3)

1099-1101: LGTM: unitless WFC average log.

Message is now unit-agnostic and consistent with per-system note.

1241-1243: LGTM: unitless Polarizability average log.

1355-1357: LGTM: unitless Dipole average log.

deepmd/entrypoints/test.py

codecov · 2025-09-17T09:03:37Z

Codecov Report

❌ Patch coverage is 40.00000% with 3 lines in your changes missing coverage. Please review.
✅ Project coverage is 84.20%. Comparing base (15c2b7d) to head (dc906da).
⚠️ Report is 74 commits behind head on devel.

Files with missing lines	Patch %	Lines
deepmd/entrypoints/test.py	40.00%	3 Missing ⚠️

Additional details and impacted files

@@           Coverage Diff           @@
##            devel    #4980   +/-   ##
=======================================
  Coverage   84.20%   84.20%           
=======================================
  Files         705      705           
  Lines       69230    69229    -1     
  Branches     3575     3581    +6     
=======================================
  Hits        58292    58292           
+ Misses       9798     9797    -1     
  Partials     1140     1140

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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>

## Summary by CodeRabbit * **Style** * Simplified RMSE log messages by removing the " eV/Å" unit suffix for WFC, Polarizability, and Dipole metrics in both per-system and aggregated outputs. * Minor wording and formatting tweaks in test/log output messages; no changes to calculations, reported values, or program behavior.  --------- Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>

fix: fix unit display in dp test

c2a176b

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>

njzjz requested review from Copilot and wanghan-iapcm September 17, 2025 08:10

Copilot AI reviewed Sep 17, 2025

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github-actions bot added the Python label Sep 17, 2025

coderabbitai bot reviewed Sep 17, 2025

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deepmd/entrypoints/test.py Outdated Show resolved Hide resolved

Update log statements to use f-strings

dc906da

Signed-off-by: Jinzhe Zeng <jinzhe.zeng@ustc.edu.cn>

wanghan-iapcm approved these changes Sep 18, 2025

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wanghan-iapcm added this pull request to the merge queue Sep 18, 2025

Merged via the queue into deepmodeling:devel with commit 7768832 Sep 18, 2025
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