Prepare ASE static (single-point) workflow tasks with backend-agnostic workflow controls. Use when the user needs one-shot energy/force/stress evaluation through an ASE calculator adapter.
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
What the file says
# ASE Static Workflow (Subskill)
## Scope
This subskill prepares static workflow tasks only.
It should generate:
- workflow script/layout for single-point evaluation
- standardized output policy (energy/forces/stress)
- backend adapter integration points
## Must provide
- structure input
- selected backend adapter
- requested properties (energy/force/stress)
## Expected output
1. static workflow script/layout
1. requested-property checklist
1. assumptions and unresolved choices
1. handoff note to `dpdisp-submit` if execution is requested
The line at the top of this page pins the label v0.1.0, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
GET https://markdownregistry.com/api/v1/artifacts/art_gxols3nu4ctyldl2
GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/static
GET https://markdownregistry.com/api/v1/blob/fbc7d161f5af9fd3895670c7363b9fe1f30ae1a1099c2184cbedce8dc81923bd
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