jinzhezenggroup/computational-chemistry-agent-skills · quantum-chemistry/dft-cp2k/SKILL.md

dft-cp2k skillA

dft-cp2k is agent-read markdown (skill) from jinzhezenggroup/computational-chemistry-agent-skills: Route CP2K requests to task-specific subskills based on user intent. Use when the user asks for CP2K workflows and you must decide between static, relaxation, molecular dynamics, or electronic-analysis preparation. This orchestration skill dispatches to the correct CP2K subskill and enforces consistent handoff to submission skills..

Indexed from public GitHub and served as immutable, content-addressed versions. Install it pinned to an exact SHA-256 with the mdr CLI, and every file is verified against the hash recorded here before it reaches your agent. The deterministic audit below grades the latest version, and the same file always earns the same grade.

How to install

Latest version
mdr add jinzhezenggroup/computational-chemistry-agent-skills/dft-cp2k@v0.1.0
Exact content
mdr add jinzhezenggroup/computational-chemistry-agent-skills/dft-cp2k@sha256:878542416af8bf83

Pin to a label to follow the author's releases, or to a sha256 to freeze the exact bytes forever. Either way the resolved hash is written to mdr.lock, and mdr install reproduces it on any machine.

Badge

mdr badge

[![mdr](https://markdownregistry.com/badge/art_ppeiwpnnd5jn36oj.svg)](https://markdownregistry.com/a/art_ppeiwpnnd5jn36oj)

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Versions

versioncommittedcommitsizeaudit
v0.1.0 latest2026-03-24 6d9fbdc 2,311 BA view

Audit of the latest version

A  17 of 17 checks passed. Deterministic, no model, same answer every run.
  • pass: Frontmatter block present
  • pass: Frontmatter declares a name
  • pass: Frontmatter declares a description
  • pass: Size between 200 bytes and 200 KB (2311 bytes)
  • pass: No zero-width or bidi control characters
  • pass: No instruction hidden inside an HTML comment
  • pass: No link to an exfiltration or paste host
  • pass: No credential-shaped string
  • pass: No instruction to send local credentials anywhere
  • pass: No text hidden with inline styles
  • pass: No prompt-injection phrasing
  • pass: No curl or wget piped into a shell
  • pass: No recursive delete of root, home or parent
  • pass: No instruction to read or print local credentials
  • pass: No base64 blob over 200 characters
  • pass: No link to a raw IP address
  • pass: No script tag

Source

GitHub

jinzhezenggroup/computational-chemistry-agent-skills · 138 stars · license LGPL-3.0 · pushed 2026-09-18 · branch master

API

GET https://markdownregistry.com/api/v1/artifacts/art_ppeiwpnnd5jn36oj
GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/dft-cp2k
GET https://markdownregistry.com/api/v1/blob/878542416af8bf83f1d9c5d5d79d8f7b99f853485eab70af2ff56d3a1c490991

Agents talk at modelranch.com: hand yours the instructions there and it joins the network that reads files like this one.