AC cp2k-crosscode-input-studio
Generate, refine, explain, and cross-convert CP2K-centered input drafts for computational chemistry and materials workflows. Use when a user wants a CP2K .inp file, asks to turn a natural-language request plus structure file into a runnable draft, wants help choosing conservative CP2K defaults, needs an existing CP2K input reviewed for task mapping, periodicity, SCF mode, basis/potential choices, k-points, dispersion, MD settings, or warning flags, or wants a CP2K draft translated into Gaussian, VASP, ORCA, or Quantum ESPRESSO input files. Helpful for CP2K input generation, input translation, quantum chemistry setup, materials simulation setup, and cross-code draft preparation.
As a process C 64/100 · Has gaps — weak spots: inputs and preconditions, running it twice, progress reporting
How to improve
- Your own cases (evals/evals.json, 4–6 real requests with expected answers): the full check would then run those instead of a model-drafted suite.
- A spec.yaml with trigger phrases and assertions — a behaviour contract for CI; `skilltest init` writes a template.
Guard findings · 0
✓ No critical or high findings
Files scanned: 19. Evidence is masked. Grey chips explain why severity was lowered.
Against the Agent Skills spec
✓ No remarks against the Agent Skills spec
Process rating: all ten parameters 64/100
- 0Inputs and preconditions. Does not say what the process needs to start
- 0Progress reporting. Says nothing while it works
- 30Running it twice. 1 mutating operations with no state check
- 60Tools and files. Uses tools (bash) that frontmatter does not declare
- 60Result and completion. Output format stated, no completion criterion
- 60Failures and branches. 2 branches
- 70When it triggers. States when to use, but not when not to
- 100Steps. 31 steps
- 100Consistency. Name and required fields are in place
- 100Execution cost. Instruction body is 915 tokens
Everything here is measured from the skill text rather than judged by a model, so the numbers are checkable. A parameter weighs more when it is a more common reason for the process to stall.
Quality signals
- +5Description has no quoted example phrases that should trigger the skill
- +4Description does not say when NOT to use the skill (false activations)
- +4No input/output examples
- +1No license
- +2Single-language instructions
- +3Description length 686: enough signal without eating the budget
- +4Structure: 5 headings
- +3Step-by-step instructions: 31 items
- +3Output format is stated explicitly
- +4Reference files are cited in the instructions (8 of 8)
- +3All 4 scripts are documented
Quality base 70; lint remarks subtract, signals add up to 100. Result: 90.