Static

Skill jinzhezenggroup/computational-chemistry-agent-skills/atomistic-workflows/ase/ase-workflows/static

Agent skills to run computational-chemistry tasks, used in OpenClaw

Install

npx -y skills add jinzhezenggroup/computational-chemistry-agent-skills --skill static

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What its author says it does

Copied from the file, not written here

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.

The file declares its own license as MIT. That is the author’s claim about this one file, and it is not the same thing as the license GitHub reports for the repository, which is listed with the other numbers below.

SKILL.md

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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

static workflow script/layout
requested-property checklist
assumptions and unresolved choices
handoff note to dpdisp-submit if execution is requested