docs(skills): add dpdata minimizer skill

[njzjz-bot]

This PR adds an Agent Skill under skills/ documenting dpdata minimizer plugins and System.minimize() usage.

Includes a runnable ASE minimization example and clarifies the driver/minimizer relationship (ASEMinimizer expects a dpdata Driver, not a raw ASE calculator).

Authored by OpenClaw (model: gpt-5.2)

Summary by CodeRabbit

• Documentation
  • Added new documentation for geometry minimization using dpdata minimizer plugins.
  • Documented the System.minimize API with supported minimizers.
  • Included practical usage examples and important configuration notes for optimal results.

[coderabbitai]

📝 Walkthrough

Walkthrough

Introduces a new documentation file for dpdata minimizer plugins, explaining the System.minimize API, supported minimizers (ase, sqm), driver requirements for ASEMinimizer, and providing a runnable ASE example with usage notes.

Changes

Cohort / File(s)	Summary
Documentation skills/dpdata-minimizer/SKILL.md	New documentation file describing dpdata minimizer plugins, System.minimize API, supported minimizers, ASEMinimizer driver requirements, and a step-by-step usage example with code.

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~5 minutes

Suggested labels

dpdata

Suggested reviewers

• njzjz
• wanghan-iapcm

🚥 Pre-merge checks | ✅ 3

✅ Passed checks (3 passed)

Check name	Status	Explanation
Description Check	✅ Passed	Check skipped - CodeRabbit’s high-level summary is enabled.
Title check	✅ Passed	The pull request title 'docs(skills): add dpdata minimizer skill' directly and clearly summarizes the main change—adding a new documentation file for the dpdata minimizer skill. It accurately reflects the changeset.
Docstring Coverage	✅ Passed	No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check.

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[codspeed-hq]

Merging this PR will improve performance by 17.31%

⚠️ Unknown Walltime execution environment detected

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⚡ 2 improved benchmarks

Performance Changes

	Mode	Benchmark	BASE	HEAD	Efficiency
⚡	WallTime	test_import	11.5 ms	9.8 ms	+17.31%
⚡	WallTime	test_cli	373.1 ms	336.3 ms	+10.94%

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_{Comparing njzjz-bot:skills/dpdata-minimizer-skill (ec58a8c) with master (d68b700)}

[coderabbitai]

🧹 Nitpick comments (1)

skills/dpdata-minimizer/SKILL.md (1)

66-66: Consider using context manager for file operations.

The file handle is not explicitly closed. While Python will eventually close it, using a context manager is better practice for documentation examples.

♻️ Suggested improvement

-open("tmp.xyz", "w").write("""2\n\nH 0 0 0\nH 0 0 0.74\n""")
+with open("tmp.xyz", "w") as f:
+    f.write("""2\n\nH 0 0 0\nH 0 0 0.74\n""")

🤖 Prompt for AI Agents

Verify each finding against the current code and only fix it if needed.

In `@skills/dpdata-minimizer/SKILL.md` at line 66, The example opens a file
without ensuring it is closed; replace the bare open("tmp.xyz", "w").write(...)
pattern with a context manager so the file is reliably closed (use with
open("tmp.xyz", "w") as f: f.write(...)). Update the SKILL.md example where the
current open(...) call appears to use a direct .write to instead use the
with-statement around the write operation.

🤖 Prompt for all review comments with AI agents

Verify each finding against the current code and only fix it if needed.

Nitpick comments:
In `@skills/dpdata-minimizer/SKILL.md`:
- Line 66: The example opens a file without ensuring it is closed; replace the
bare open("tmp.xyz", "w").write(...) pattern with a context manager so the file
is reliably closed (use with open("tmp.xyz", "w") as f: f.write(...)). Update
the SKILL.md example where the current open(...) call appears to use a direct
.write to instead use the with-statement around the write operation.

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ℹ️ Review info

⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro

Run ID: 36b60c7f-7540-4c7d-8bd1-76181dc27d2a

📥 Commits

Reviewing files that changed from the base of the PR and between d68b700 and ec58a8c.

📒 Files selected for processing (1)

• skills/dpdata-minimizer/SKILL.md

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 86.37%. Comparing base (d68b700) to head (ec58a8c).

Additional details and impacted files

@@           Coverage Diff           @@
##           master     #955   +/-   ##
=======================================
  Coverage   86.37%   86.37%           
=======================================
  Files          86       86           
  Lines        8086     8086           
=======================================
  Hits         6984     6984           
  Misses       1102     1102           

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[Copilot]

Pull request overview

Adds a new Agent Skill document under skills/dpdata-minimizer/ that explains how to use dpdata's minimizer plugins and System.minimize() API, including the relationship between drivers and minimizers and a runnable ASE example.

Changes:

• Added SKILL.md documenting dpdata minimizer plugin usage, supported minimizer keys, and the driver/minimizer relationship
• Included a runnable ASE minimization example with uv inline script metadata

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