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在 OpenClaw 中安装
/install vasp-skills
功能描述
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...
安全使用建议
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.
功能分析
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.
能力评估
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.
如何使用
- 确保已安装 OpenClaw（本地或 Docker 部署）
- 在对话框中输入安装命令：
/install vasp-skills - 安装完成后，直接呼叫该 Skill 的名称或使用
/vasp-skills触发 - 根据 Skill 的参数说明提供必要输入，即可获得结构化输出
版本历史
v1.0.0
first publish
元数据
常见问题
vasp-skills 是什么？
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... 它是一个面向 Claude Code / OpenClaw 的 AI Agent Skill 插件，目前累计下载 174 次。
如何安装 vasp-skills？
在 OpenClaw 或 Claude Code 对话框中运行命令「/install vasp-skills」即可一键安装，无需额外配置。
vasp-skills 是免费的吗？
是的，vasp-skills 完全免费，采用 MIT-0 许可证，可自由下载、安装和使用。
vasp-skills 支持哪些平台？
vasp-skills 跨平台运行，可在任意部署了 OpenClaw / Claude Code 的环境中使用（cross-platform）。
谁开发了 vasp-skills？
由 fzj（@fzj1214）开发并维护，当前版本 v1.0.0。
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