skills.rest
jinzhezenggroup
jinzhezenggroupOFFICIAL
Explore all skills by this author →
WebsiteGitHub

ase

Routes ASE tasks to appropriate workflow or calculator subskills and coordinates handoffs.

124|25|Updated Feb 20, 2026
Search Tags:#automation#routing#workflow-orchestration#ase#backend-agnostic#subskills
One-click install
npx skills add https://github.com/jinzhezenggroup/computational-chemistry-agent-skills --skill ase-jinzhezenggroup
Or copy as Structured Prompt for Agent▼
Please help me install this Agent Skill.
Skill: ase
Source: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/main/atomistic-workflows/ase
Command: npx skills add https://github.com/jinzhezenggroup/computational-chemistry-agent-skills --skill ase-jinzhezenggroup

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

Route ASE tasks to the correct subskill and manage handoffs between workflow logic and calculator adapters, enabling consistent orchestration across the ASE ecosystem.

Core Features & Use Cases

The top-level ASE router dispatches requests to either the workflow subskills (static, relax, md, neb) or the calculator adapters (gpaw, mace), preserving separation of concerns and ensuring backend-agnostic task preparation. It coordinates minimal context, exposes a clear delegation path, and returns a reproducible task layout for OpenClaw integration, including explicit next steps when execution is requested.

Quick Start

Route an ASE task to the router by specifying the desired workflow or backend, and let the router hand off to the appropriate subskill for task construction.

Frequently Asked Questions about ase

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I route ASE tasks to the correct workflow or calculator backend?▼

Route ASE tasks by specifying the desired workflow or backend, and the router dispatches requests to the appropriate subskill, returning the selected path and next delegation step.

What is backend-agnostic workflow orchestration in ASE?▼

Backend-agnostic orchestration separates workflow logic from calculator adapters, allowing ASE tasks to run across different backends like GPAW and MACE with consistent task preparation.

Can I use ASE workflows for static, relax, md, and neb calculations?▼

Yes, ASE routing supports nested static, relax, md, and neb workflows by handing off task construction to the appropriate workflow subskill automatically.

Does ASE routing work with GPAW and MACE calculator adapters?▼

Yes, the ASE router coordinates handoffs to both GPAW and MACE calculator adapters, preserving separation of concerns while ensuring reproducible task layout for execution.

How do I get a reproducible task layout for ASE workflow integration?▼

The ASE router returns a reproducible task layout with the selected subskill path, rationale for selection, missing minimum inputs, and explicit next delegation step for OpenClaw integration.

What should I do if my ASE routing task is missing minimum inputs?▼

When minimum inputs are missing, the ASE router identifies them in the output and provides the next explicit delegation step so you can supply required data before execution.

Related Skills

Explore More Software Engineering Skills→
jinzhezenggroupjinzhezenggroup
124

ase-workflows

Route ASE atomistic-workflow requests to task-specific subskills by intent.

Official
Advanced
jinzhezenggroupjinzhezenggroup
124

dft-gpaw

Route GPAW DFT requests to static, relaxation, DOS, or band-structure subskills.

Official
Advanced
jinzhezenggroupjinzhezenggroup
124

mace

Configure ASE MACE backend parameters for ASE workflows.

Official
Intermediate
LucasMalessaLucasMalessa

ring:using-ring

Enforce orchestrator protocols and skill discovery before direct tool use.

Community
Advanced