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vasp-batch-execution

Use this skill for dispatching prepared VASP jobs with vasp_execute_batch, choosing valid input/output layouts, avoiding nested or overlapping calc trees, and collecting clean failure evidence.

Quality

89%

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SKILL.md
Quality
Evals
Security

Quality

Content

92%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.

A lean, well-structured instruction skill with concrete tool-specific rules, pre-flight layout validation, and a real failure-recovery loop. The only notable gap is the lack of an example vasp_execute_batch invocation showing its parameters.

DimensionReasoningScore

Conciseness

The ~48-line body is lean and assumes competence: bullets like 'A calc folder is identified by INCAR and POTCAR' and 'Read _BATCH_STATE.json first' convey tool-specific facts with zero padding, no explanation of what VASP or batch processing is, and no filler. Every token earns its place, matching the level-5 anchor; level 4 ('minor instances of over-explanation') does not apply since nothing is trimmable.

5 / 5

Actionability

Concrete, specific guidance throughout: which tool to call ('Use vasp_execute_batch; do not use deprecated vasp_execute'), explicit path constraints ('output_dir must not be inside input_dir'), and a concrete failure protocol ('Read _BATCH_STATE.json first... Rerun only the failed subset, again into a fresh output root'). Per the rubric's code-vs-instruction note, absence of code is not penalized, but there is no example invocation of vasp_execute_batch (parameter names like input_dir/output_dir are referenced but never shown in a call), leaving a minor gap versus the fully copy-paste-ready level-5 anchor — hence 4, not 5; it is clearly above level 3's pseudocode/incomplete level.

4 / 5

Workflow Clarity

The numbered workflow (validate layout → avoid illegal layouts → submit and collect → triage failures) has explicit validation steps: step 1 validates the execution layout, step 2 enumerates the illegal layouts as a checklist, and step 4 is a genuine feedback loop (read _BATCH_STATE.json → inspect focused evidence → rerun only the failed subset into a fresh output root). The batch-operation cap at 3 does not apply because validation and error-recovery loops are present, matching the level-5 anchor ('explicit validation steps; feedback loops for error recovery; checklists').

5 / 5

Progressive Disclosure

The skill is under 50 lines, single-purpose, with no bundle files (references/, scripts/, assets/ do not exist) and no need for external references; per the rubric's simple-skill note it scores 5 with well-organized sections, which it has: Overview, Quick Start, Suggested tools, a four-part Workflow, Output Contract, and a closing usage note. Sections are clean and navigable with no inlined content that belongs in a separate file.

5 / 5

Total

19

/

20

Passed

Description

83%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.

A strong, specific description that names a distinct niche and concrete actions with a real tool. Its main weaknesses are the fused rather than explicit 'when to use' trigger clause and missing natural synonyms like 'run/submit VASP calculations'.

Suggestions

Add an explicit trigger clause, e.g. 'Use when the user asks to run, submit, or batch-dispatch VASP/DFT calculations' — this would raise both completeness and trigger-term quality.

Include natural user phrasings and synonyms ('run VASP calculations', 'submit VASP jobs', 'DFT calculations') alongside the current 'dispatching prepared VASP jobs'.

Replace or gloss the jargon term 'calc trees' with language a user would naturally say (e.g. 'calculation directories').

DimensionReasoningScore

Specificity

The description lists multiple specific concrete actions: 'dispatching prepared VASP jobs with vasp_execute_batch, choosing valid input/output layouts, avoiding nested or overlapping calc trees, and collecting clean failure evidence.' Four distinct actions with a named tool, matching the comprehensiveness of the level-5 anchor ('Extract text and tables from PDF files, fill forms, merge documents, convert pages to images'). It is above level 4 because coverage is broad rather than having minor gaps, and the imperative 'Use this skill for...' form contains no first/second-person pronouns, so no voice penalty applies.

5 / 5

Completeness

The 'what' is explicit (dispatch, layout validation, avoiding nested calc trees, collecting failure evidence) and trigger guidance is present via 'Use this skill for dispatching prepared VASP jobs...', so completeness is not capped at 3. But the 'when' is fused into the what-enumeration rather than stated as a distinct, concrete trigger clause like 'Use when the user asks to run or submit VASP calculations' — matching the level-4 anchor ('both present; when could be more explicit or specific') rather than the level-5 example with a separate explicit 'Use when...' phrase.

4 / 5

Trigger Term Quality

Good natural-keyword coverage: 'VASP jobs', 'batch' (via the tool name), 'input/output layouts', 'failure evidence'. However, common user phrasings like 'run VASP calculations', 'submit VASP jobs', or 'DFT calculations' are missing, and 'calc trees' is internal jargon rather than a term a user would naturally say. This fits the level-4 anchor ('good keyword coverage; a few natural terms missing') better than level 5, which requires synonyms and extensions, and clearly better than level 3's partial coverage.

4 / 5

Distinctiveness Conflict Risk

Clear niche: VASP batch execution via the specific tool 'vasp_execute_batch', with constraints (input/output trees, calc folders, _BATCH_STATE.json) that no generic skill would claim. Minimal conflict risk, matching the level-5 anchor's 'clear niche with distinct triggers'.

5 / 5

Total

18

/

20

Passed

Validation

93%

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

Validation — 15 / 16 Passed

Validation for skill structure

CriteriaDescriptionResult

metadata_version

'metadata.version' is missing

Warning

Total

15

/

16

Passed

Repository

fernandezbaptiste/CatMaster

Path

skills/vasp-batch-execution/SKILL.md

Reviewed

Table of Contents

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