run-gauss

run-gauss is a skill for Claude Code, Codex from jinzhezenggroup/computational-chemistry-agent-skills. It costs 49 tokens per session (428 once invoked), scanned C, original, LGPL-3.0.

A reference guide for running Gaussian computational chemistry jobs, which calculate molecular properties from input files such as .gjf files. It covers environment checks, scratch directories, and reusable shell command patterns.

In plain words
What is it for?
Use it to prepare and run Gaussian jobs locally or on remote or high-performance computing systems, including checking the environment and managing scratch space.
Why use it?
It helps avoid failed jobs caused by missing software, incorrect temporary-file setup, or unsuitable commands on local machines and computing clusters.

Skill for Claude CodeCodex

Which agent this was written for is unclear — body not stored (licence); the path alone says nothing.

Good fit Use it to prepare and run Gaussian jobs locally or on remote or high-performance computing systems, including checking the environment and managing scratch space.

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Install with agentmods
npx agentmods add skills/jinzhezenggroup/computational-chemistry-agent-skills/run-gauss
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss
Clone the repo
git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for run-gauss

README.md
[![agentmods](https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/run-gauss/github.svg)](https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/run-gauss)
Your own site
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/run-gauss"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/run-gauss/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for run-gauss

Your own site · 80×15
<a href="https://agentmods.dev/skills/jinzhezenggroup/computational-chemistry-agent-skills/run-gauss"><img src="https://agentmods.dev/badge/skills/jinzhezenggroup/computational-chemistry-agent-skills/run-gauss.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 49 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 428 The whole file, excluding the scripts and references it only reads on demand.
Security scan C 1 finding. A grade says what 26 rules found in the file — not that it is safe.
Origin unknown No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00049 $0.00428
Opus 5.5 $0.00020 $0.00171
Sonnet 5.5 $0.00010 $0.00086
Haiku 4.5 $0.00005 $0.00043

Measured 1mo ago against content hash de777a316cb3, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade C, and why

run-gauss scanned grade C with 1 finding against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 1mo ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Recursive force deletehighDestructive command

rm -rf with a variable or a broad path is one typo away from removing the wrong tree.

rm -rf "$GAUSS_SCRDIR"
quantum-chemistry/run-gauss/SKILL.md · 52 lines

The source is not reproduced here

Licensed LGPL-3.0

The repository is licensed LGPL-3.0, which this catalogue does not treat as permission to reproduce the file. Read it at the source.

Read it on GitHub

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 1mo ago First seen · 52 lines · 49 tokens per session scan C de777a316cb3

Subscribe to this mod's changes

run-gauss is a skill published in the GitHub repository jinzhezenggroup/computational-chemistry-agent-skills (155 stars, last pushed yesterday), licensed LGPL-3.0. It adds 49 tokens to every session and 428 once invoked, about $0.0002 per session on Opus 5.5. A static security scan graded it C with 1 finding (recursive force delete). No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

Related

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