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/install vasp-skills
Description
Build, review, debug, and automate VASP first-principles workflows. Use when working with VASP input sets such as INCAR, POSCAR, KPOINTS, and POTCAR; when ch...
Usage Guidance
This skill is an offline documentation and template bundle for building and staging VASP workflows — it does not request credentials or download code. Before installing, note: (1) it assumes you have a licensed VASP binary (vasp_std or equivalent) and a scheduler (SLURM) available; the skill does not provide VASP itself; (2) review the included SLURM script and templates to ensure they match your cluster's conventions; (3) the skill will not exfiltrate data, but when using it you should avoid pasting proprietary inputs into public or third-party tools; and (4) if you allow autonomous agent actions, ensure the agent is not accidentally permitted to submit cluster jobs outside your intended control.
Capability Analysis
Type: OpenClaw Skill
Name: vasp-skills
Version: 1.0.0
The skill bundle is a legitimate set of templates and documentation for managing VASP (Vienna Ab initio Simulation Package) workflows on HPC clusters. It contains standard VASP input templates (INCAR, POSCAR, KPOINTS), a typical Slurm submission script (vasp-standard-slurm.sh), and extensive reference material for error recovery and parameter selection. No signs of malicious intent, data exfiltration, or prompt injection were found.
Capability Assessment
Purpose & Capability
Name/description, SKILL.md, and the included reference docs and templates all align with a VASP workflow helper. Minor inconsistency: the docs and slurm template reference a local VASP executable (e.g., vasp_std) and SLURM environment variables, but the registry metadata does not declare any required binary — this is expected for an instruction-only skill but is worth noting so users remember the skill assumes you have VASP and a scheduler available.
Instruction Scope
SKILL.md directs the agent to read and use local reference files and templates (all included in the skill). It does not instruct reading unrelated system files, accessing external endpoints, or exfiltrating data. The runtime instructions are narrowly scoped to preparing and staging VASP workflows.
Install Mechanism
No install specification — instruction-only plus a few local templates and one harmless SLURM script. Nothing is downloaded or written to disk during install by the skill itself.
Credentials
The skill declares no required environment variables or credentials, which is appropriate. The provided slurm template references common SLURM variables (SLURM_SUBMIT_DIR, SLURM_CPUS_PER_TASK, SLURM_NTASKS) and expects a local vasp_std binary; this is normal for cluster job scripts but users should be aware the skill assumes those runtime scheduler variables and the VASP executable exist on their systems.
Persistence & Privilege
The skill is not always-enabled and does not request elevated/persistent privileges. It does not modify other skills or global agent settings. Autonomous invocation is allowed (the platform default) but there are no instructions that would autonomously change system configuration or persist credentials.
How to Use
- Make sure OpenClaw is installed (local or Docker)
- Run the install command in chat:
/install vasp-skills - After installation, invoke the skill by name or use
/vasp-skills - Provide required inputs per the skill's parameter spec and get structured output
Version History
v1.0.0
first publish
Metadata
Frequently Asked Questions
What is vasp-skills?
Build, review, debug, and automate VASP first-principles workflows. Use when working with VASP input sets such as INCAR, POSCAR, KPOINTS, and POTCAR; when ch... It is an AI Agent Skill for Claude Code / OpenClaw, with 174 downloads so far.
How do I install vasp-skills?
Run "/install vasp-skills" in the OpenClaw or Claude Code chat to install it in one step — no extra setup required.
Is vasp-skills free?
Yes, vasp-skills is completely free, licensed under MIT-0. You can download, install and use it at no cost.
Which platforms does vasp-skills support?
vasp-skills is cross-platform and runs anywhere OpenClaw / Claude Code is available (cross-platform).
Who created vasp-skills?
It is built and maintained by fzj (@fzj1214); the current version is v1.0.0.
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