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pymatgen

Materials science toolkit. Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion, for computational materials science.

Quality

72%

Does it follow best practices?

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Passed

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tessl review fix ./bundled/skills/pymatgen/SKILL.md

Quality

Content

68%Weight 40%Scale 1-5

Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.

The content is highly actionable and well-structured with properly organized one-level-deep references to real bundle files, but workflow validation checkpoints are largely implicit and a few code examples have undefined-variable gaps. Conciseness is good with only minor redundancy.

Suggestions

Add explicit per-step validation checkpoints in the band-structure and surface-energy workflows (e.g., "Verify `vasprun.xml` converged before proceeding to the static calculation") to raise workflow_clarity above 3.

Fix undefined-variable examples (define `bulk` before use in the surface-energy workflow; show how `matrix` is obtained for the elastic tensor) so all code is copy-paste executable.

Reduce redundancy between the Quick Start "Basic Structure Operations" example and Core Capabilities §1 by having Quick Start defer to the later section or vice versa.

Dimension	Reasoning	Score
Conciseness	The body is mostly dense, executable code with little concept-explanation padding, but minor redundancy (Quick Start repeats structure creation shown again in Core Capabilities §1, and brief intro sentences) keeps it just below lean.	4 / 5
Actionability	Packed with concrete, copy-paste-ready Python and bash across all nine capability areas and script usages, but a couple of examples reference undefined variables (e.g., `bulk` in the surface-energy workflow, `matrix` in the elastic-tensor snippet), a minor gap.	4 / 5
Workflow Clarity	Multi-step workflows (band-structure, surface-energy) are clearly sequenced, but validation checkpoints are implicit (e.g., "after relaxation") rather than explicit per-step checks; convergence validation appears only as a general Best Practices bullet.	3 / 5
Progressive Disclosure	Clear overview, well-signaled one-level-deep references that all resolve to real bundled files, and a Bundled Resources index, but the main body carries substantial inline code that could be further split into references.	4 / 5
	Total	15 / 20 Passed

Description

66%Weight 40%Scale 1-5

Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.

The description is specific and rich in natural trigger terms for a well-defined materials-science niche, but it lacks an explicit "Use when..." trigger clause, capping completeness at 3. Specificity and distinctiveness are strong with only minor gaps.

Suggestions

Add an explicit "Use when..." trigger clause (e.g., "Use when working with crystal structures, converting CIF/POSCAR files, building phase diagrams, or querying the Materials Project") to lift completeness past 3.

Express capabilities as concrete actions with verbs (e.g., "Build phase diagrams", "Convert CIF to POSCAR", "Compute band gaps and DOS") rather than nominal phrases to raise specificity.

Include a few more common synonyms/extensions users say (e.g., VASP, .cif, .vasp, "crystallography") to round out trigger-term coverage.

Dimension	Reasoning	Score
Specificity	Lists several specific capabilities and objects ("Crystal structures (CIF, POSCAR), phase diagrams, band structure, DOS, Materials Project integration, format conversion") but actions are mostly nominal rather than explicit verbs, a minor coverage gap.	4 / 5
Completeness	The description has a clear "what" but no explicit "Use when..." trigger clause; the trailing "for computational materials science" is only a weak domain qualifier, so completeness is capped at 3 per the missing-trigger guideline.	3 / 5
Trigger Term Quality	Strong natural keyword coverage ("Materials science", "Crystal structures", "CIF", "POSCAR", "phase diagrams", "band structure", "DOS", "Materials Project") including file tokens and domain synonyms, though a few common variations (e.g., VASP, explicit .cif) are missing.	4 / 5
Distinctiveness Conflict Risk	A specialized materials-science niche with distinct triggers (pymatgen, Materials Project, crystal structures) that is mostly distinct from other skills, with only minor overlap risk from the generic "format conversion" phrasing.	4 / 5
	Total	15 / 20 Passed

Validation

81%

Warnings & errors only

Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.

Validation — 13 / 16 Passed

Validation for skill structure

Criteria	Description	Result
skill_md_line_count	SKILL.md is long (689 lines); consider splitting into references/ and linking	Warning
metadata_version	'metadata.version' is missing	Warning
referenced_paths_exist	Referenced path issues: 1 missing	Warning

	Total	13 / 16 Passed

Repository: foryourhealth111-pixel/Vibe-Skills
Path: bundled/skills/pymatgen/SKILL.md
Revision: 5ce2258

Reviewed: 27 days ago

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pymatgen

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