fix: change eV/A to eV/Å for dp test

[OutisLi]

change the unit eV/A to eV/Å for dp test

Summary by CodeRabbit

• Bug Fixes
  • Standardized unit display from eV/A and eV/A^2 to eV/Å and eV/Å^2 across all distance-related logs. Affects force metrics (MAE/RMSE, weighted, per-atom), Hessian, WFC, polarizability, dipole, and corresponding system-average summaries. Improves readability, aligns with scientific notation, and removes ambiguity in reported units. No changes to calculations or results—only log message text was updated.

[Copilot]

Pull Request Overview

This PR updates the unit notation in logging output from "eV/A" to "eV/Å" (using the proper angstrom symbol) for the dp test command. The change ensures correct scientific notation for force, hessian, dipole, polarizability, and WFC measurements.

• Updates force units from "eV/A" to "eV/Å" in logging statements
• Updates hessian units from "eV/A^2" to "eV/Å^2" in logging statements
• Updates dipole, polarizability, and WFC units from "eV/A" to "eV/Å" in logging statements

[coderabbitai]

📝 Walkthrough

Walkthrough

Replaced occurrences of "eV/A" and "eV/A^2" with "eV/Å" and "eV/Å^2" in log/output strings within deepmd/entrypoints/test.py. No logic, data structure, or control-flow changes.

Changes

Cohort / File(s)	Summary of Changes
Logging unit text updates deepmd/entrypoints/test.py	Updated displayed units from eV/A and eV/A^2 to eV/Å and eV/Å^2 across force, hessian, WFC, polarizability, and dipole log messages; no code logic modifications.

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~2 minutes

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: change eV/A to eV/Å for dp test" is a concise, single-sentence summary that accurately describes the primary change (updating unit notation in test log messages) and aligns with the PR summary and file-level changes, making it clear to reviewers what the fix does.
Docstring Coverage	✅ Passed	Docstring coverage is 100.00% which is sufficient. The required threshold is 80.00%.

✨ Finishing touches

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• Create PR with unit tests
• Post copyable unit tests in a comment

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[coderabbitai]

Actionable comments posted: 2

🧹 Nitpick comments (1)

deepmd/entrypoints/test.py (1)

1072-1074: Fix missing f-strings in WFC logs (values not interpolated).

Both lines print the braces literally today. Make them f-strings.

-    log.info("# number of test data : {numb_test:d} ")
-    log.info("WFC  RMSE : {rmse_f:e} eV/Å")
+    log.info(f"# number of test data : {numb_test:d} ")
+    log.info(f"WFC  RMSE : {rmse_f:e} eV/Å")

📜 Review details

Configuration used: CodeRabbit UI

Review profile: CHILL

Plan: Pro

📥 Commits

Reviewing files that changed from the base of the PR and between dd55dff and 723d9cf.

📒 Files selected for processing (1)

• deepmd/entrypoints/test.py (7 hunks)

🧰 Additional context used

📓 Path-based instructions (1)

**/*.py

📄 CodeRabbit inference engine (.github/copilot-instructions.md)

**/*.py: Run ruff check and ruff format on all Python code before committing
Ensure Python code is formatted with ruff’s formatter

Files:

• deepmd/entrypoints/test.py

🔇 Additional comments (7)

deepmd/entrypoints/test.py (7)

514-521: Units switch for Force logs looks good (Å).

A→Å change is correct. Please also run ruff format/check before merge.

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524-526: Force atom logs updated to Å — OK.

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546-547: Hessian units updated to eV/Å^2 — OK.

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666-671: System‑avg Force logs: A→Å change looks correct.

---

672-675: System‑avg Force atom logs: A→Å change looks correct.

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682-683: System‑avg Hessian logs: A→Å^2 change looks correct.

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1100-1100: System‑avg WFC log: A→Å change looks correct.

[codecov]

Codecov Report

❌ Patch coverage is 70.00000% with 6 lines in your changes missing coverage. Please review.
✅ Project coverage is 84.20%. Comparing base (34df2b4) to head (723d9cf).
⚠️ Report is 73 commits behind head on devel.

Files with missing lines	Patch %	Lines
deepmd/entrypoints/test.py	70.00%	6 Missing ⚠️

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #4978      +/-   ##
==========================================
- Coverage   84.20%   84.20%   -0.01%     
==========================================
  Files         705      705              
  Lines       69229    69229              
  Branches     3576     3575       -1     
==========================================
- Hits        58293    58292       -1     
  Misses       9797     9797              
- Partials     1139     1140       +1     

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