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SKILL verified MIT Self-run

Abinit Analysis

skill-chatmaterials-abinit-analysis-abinit-analysis · by chatmaterials

Use when the task is to analyze completed or partially completed ABINIT results, including extracting total energies, convergence or restart status, comparing multiple ABINIT runs, and summarizing .abo outputs.

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Install

$ agentstack add skill-chatmaterials-abinit-analysis-abinit-analysis

✓ scanned · ✓ verified, works with Claude Code, Cursor, and more.

Security review

✓ Passed

No issues found. Passed automated security review. · v0.1.0 How review works →

  • ✓ Prompt-injection patterns
  • ✓ Secret / credential exfiltration
  • ✓ Dangerous shell & filesystem operations
  • ✓ Untrusted network calls
  • ✓ Known-malicious package signatures

What it can access

  • ✓ Network access No
  • ✓ Filesystem access No
  • ✓ Shell / process execution No
  • ✓ Environment & secrets No
  • ✓ Dynamic code execution No

From automated source analysis of v0.1.0. “Used” means the capability is present in the source — more access means more to trust, not that it’s unsafe.

View the full security report →

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Reliability & compatibility

✓ Security review passed
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Declared compatibility

Claude CodeClaude Desktop

Compatibility is declared by the source manifest. End-to-end runtime verification is coming, see below.

Preview Execution monitoring

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About

ABINIT Analysis

Use this skill for post-run ABINIT result analysis rather than workflow setup.

When to use

  • analyze a completed or incomplete ABINIT run
  • compare energies across multiple ABINIT directories
  • summarize status from .abi and .abo
  • write a compact report from existing ABINIT results

Use the bundled helpers

  • scripts/analyze_abinit_result.py

Summarize a single ABINIT result directory.

  • scripts/compare_abinit_results.py

Compare multiple ABINIT result directories by energy and status.

  • scripts/analyze_abinit_dos.py

Extract DOS-oriented summary data from ABINIT DOS output.

  • scripts/analyze_abinit_band.py

Extract band-gap-oriented summary data from ABINIT band output.

  • scripts/export_analysis_report.py

Export a markdown analysis report from an ABINIT result directory.

Guardrails

  • Do not claim comparability when restart dependencies differ or runs are incomplete.
  • Distinguish extracted quantities from scientific interpretation.

Source & license

This open-source skill is cataloged on AgentStack and links to its original source — we do not rehost the code.

Install and usage instructions live in the source repository linked above.

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Versions

  • v0.1.0 Imported from the upstream source.

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