dft-abinit

Route ABINIT requests to task-specific subskills for static, relax, md, and electronic workflows.

124|25|Updated Feb 20, 2026
One-click install
npx skills add https://github.com/jinzhezenggroup/computational-chemistry-agent-skills --skill dft-abinit
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: dft-abinit
Source: https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/main/quantum-chemistry/dft-abinit
Command: npx skills add https://github.com/jinzhezenggroup/computational-chemistry-agent-skills --skill dft-abinit

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes references (resource) components.

What problem does it solve?

Route ABINIT requests to task-specific ABINIT subskills based on user intent.

Core Features & Use Cases

  • Dispatches to static/relax/md/electronic subskills based on the user's task intent.
  • Enforces consistent handoff to submission skills when execution is requested.
  • Provides a unified routing layer that preserves prerequisites and context for downstream subskills.

Quick Start

Provide a user request describing ABINIT tasks; the router dispatches to the appropriate subskill.

Frequently Asked Questions about dft-abinit

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

FAQPage Schema
How do I route ABINIT calculations to the correct workflow?

ABINIT workflow routing dispatches user requests to task-specific subskills based on intent. It identifies static, relax, md, or electronic workflows and directs the request to the appropriate subskill automatically.

What do I need to run ABINIT simulations through this router?

To run ABINIT simulations, you need a runnable ABINIT environment and suitable pseudopotentials. The router validates these prerequisites before dispatching requests to ensure downstream subskills execute correctly.

How does ABINIT request handoff work for execution?

ABINIT request handoff enforces consistent transitions to submission skills when execution is requested. The router preserves prerequisites and context, returning a structured, handoff-ready task layout for downstream processing.

Can I perform molecular dynamics and structural relaxation in ABINIT?

You can perform molecular dynamics and structural relaxation by routing ABINIT requests to the md or relax subskills. The router determines the specific workflow from your task intent and dispatches accordingly.

What is the best way to organize multiple ABINIT calculation types?

Organize multiple ABINIT calculation types through a unified routing layer that manages static, relax, md, and electronic workflows. This approach preserves prerequisites and context for downstream subskills while dispatching based on user intent.