jinzhezenggroup/computational-chemistry-agent-skills · tools/dpdata-minimizer/SKILL.md

dpdata-minimizer skillA

dpdata-minimizer is agent-read markdown (skill) from jinzhezenggroup/computational-chemistry-agent-skills: Minimize geometries with dpdata minimizer plugins via System.minimize(), including how minimizers relate to drivers (ASEMinimizer needs a dpdata Driver) and how to list supported minimizers (ase/sqm). Use when doing geometry optimization/minimization through dpdata Python API..

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/dpdata-minimizer@git:20260318.32fc18f
Exact content
mdr add jinzhezenggroup/computational-chemistry-agent-skills/dpdata-minimizer@sha256:38c7c03c441e4c2a

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_d4dyijblcta3te67.svg)](https://markdownregistry.com/a/art_d4dyijblcta3te67)

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Versions

versioncommittedcommitsizeaudit
git:20260318.32fc18f latest2026-03-18 32fc18f 2,682 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 (2682 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_d4dyijblcta3te67
GET https://markdownregistry.com/api/v1/resolve?ref=jinzhezenggroup/computational-chemistry-agent-skills/dpdata-minimizer
GET https://markdownregistry.com/api/v1/blob/38c7c03c441e4c2ab9a79a28fd7570a5c6c5e4c6248611172a07424149439e11

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