Knowledgebase
open-edge-platform/edge-ai-suites
Generic RAG query skill - Retrieve any information from the local knowledge base and generate structured reports, summaries, or Q&A responses.
Acts as a knowledge base providing environment checklists, directory/scratch management, and bash command templates.
Install Run Gauss
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills run-gauss --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/quantum-chemistry/run-gauss .claude/skills/run-gauss && rm -rf skills-srcUse ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.
Claude Code skills documentation · loads skills from .claude/skills/
Install the "run-gauss" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/run-gauss into .claude/skills/run-gauss/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-gauss", then confirm the skill loads.Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$skill-installer install https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/run-gaussType this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills run-gauss --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .agents/skills && cp -r skills-src/quantum-chemistry/run-gauss .agents/skills/run-gauss && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "run-gauss" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/run-gauss into .agents/skills/run-gauss/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-gauss", then confirm the skill loads.Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills run-gauss --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/quantum-chemistry/run-gauss .cursor/skills/run-gauss && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "run-gauss" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/run-gauss into .cursor/skills/run-gauss/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-gauss", then confirm the skill loads.Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gemini skills install https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git --path quantum-chemistry/run-gauss--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills run-gauss --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/quantum-chemistry/run-gauss .gemini/skills/run-gauss && rm -rf skills-srcUse ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.
Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/
Install the "run-gauss" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/run-gauss into .gemini/skills/run-gauss/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-gauss", then confirm the skill loads.Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills run-gaussInstalls for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .github/skills && cp -r skills-src/quantum-chemistry/run-gauss .github/skills/run-gauss && rm -rf skills-srcUse ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.
GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/
Install the "run-gauss" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/run-gauss into .github/skills/run-gauss/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-gauss", then confirm the skill loads.GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills run-gauss --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jinzhezenggroup/computational-chemistry-agent-skills.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/quantum-chemistry/run-gauss .opencode/skills/run-gauss && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "run-gauss" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/run-gauss into .opencode/skills/run-gauss/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "run-gauss", then confirm the skill loads.OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
Facts
- Skill name
run-gauss- GitHub stars
- 148
- Token cost
- ~398 tokens
- SKILL.md length
- 118 words
- Files
- 1
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- LGPL-3.0-or-later
At a glance
Acts as a knowledge base providing environment checklists, directory/scratch management, and bash command templates.
- You need to guide the execution of Gaussian computational chemistry jobs (.gjf) on local
- SKILL.md covers Ask the user for these details, Command template, Generate / assemble .gjf (when… and Submit via dpdispatcher…
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
- Remote/HPC environments
What it does
Run Gauss is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Acts as a knowledge base providing environment checklists, directory/scratch management, and bash command templates. USE WHEN you need to guide the execution of Gaussian computational chemistry jobs (.gjf) on local or remote/HPC environments.
Its SKILL.md is about 400 tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.
It sits in Knowledge Management, covering Knowledge bases. It works with Bash. The repository describes itself as: Agent skills to run computational-chemistry tasks, used in OpenClaw. The licence is LGPL-3.0-or-later.
When your agent uses it
- You need to guide the execution of Gaussian computational chemistry jobs (.gjf) on local
- Remote/HPC environments
Example prompts
- “/run-gauss”
What it can do on your machine
Read from SKILL.md and the folder at commit 5c19e75. It shows what the files ask for, not the result of running them.
Tool permissions
Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.
From allowed-tools in the SKILL.md frontmatter.
Runs code
No scripts in the folder and no shell commands in SKILL.md (its code samples are bash).
From the folder's file list and the shell code blocks in SKILL.md.
Network
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Credentials
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Context cost
Run Gauss loads about 398 tokens when it runs. Until then it costs about 63 tokens; SKILL.md has 118 words of instructions outside code blocks.
Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.
Safety
Auto-check passed
The automated check found no risky patterns in SKILL.md.
Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.
SKILL.md
The full file from jinzhezenggroup/computational-chemistry-agent-skills at commit 5c19e75, republished under its LGPL-3.0-or-later licence (© jinzhezenggroup). 118 words, ~398 tokens.
Download SKILL.mdSave it as
.claude/skills/run-gauss/SKILL.md (or your agent's skills folder).- name
- run-gauss
- description
- Acts as a knowledge base providing environment checklists, directory/scratch management, and bash command templates. USE WHEN you need to guide the execution of Gaussian computational chemistry jobs (.gjf) on local or remote/HPC environments.
- license
- LGPL-3.0-or-later
- metadata.author
- light-cyan
- metadata.version
- 0.1.0
Ask the user for these details
- Run location:
<local>or<remote/HPC>(and scheduler if any) - Environment setup:
<env_setup_cmds>(e.g. module load / source script) - Gaussian executable:
<gaussian_exec>(e.g.g16,g09, or absolute path) - Working directory:
- local prep dir:
<local_work_dir>(if applicable) - remote run dir:
<remote_work_dir>(if applicable) - per-task dir:
<task_work_dir>
- local prep dir:
- Files:
- input:
<input.gjf> - Gaussian output:
<gaussian_log> - wrapper stdout/stderr (if needed):
<stdout_log>,<stderr_log>
- input:
- Scratch:
GAUSS_SCRDIR=<scratch_dir>(e.g../scratch,$TMPDIR, or site-provided scratch)- whether to clean scratch after the run
Command template
<env_setup_cmds>
export GAUSS_SCRDIR=<scratch_dir>
mkdir -p "$GAUSS_SCRDIR"
<gaussian_exec> < <input.gjf> > <gaussian_log>
rm -rf "$GAUSS_SCRDIR"Generate / assemble .gjf (when there is not an existing one)
Use gjf-flux to extract/assemble .gjf sections and build workflows.
Find the extract/assemble skill: gjf-flux
Submit via dpdispatcher (recommended)
Recommend using dpdispatcher to submit Gaussian calculations.
Find the submission skill: dpdisp-submit
© jinzhezenggroup, LGPL-3.0-or-later. Rendered from Markdown: HTML in the file is shown as text, images as links, and headings moved down two levels. Raw file
Files
Just SKILL.md in quantum-chemistry/run-gauss of jinzhezenggroup/computational-chemistry-agent-skills.
Open the folder on GitHubat commit 5c19e75
Compare with similar skills
Run Gauss next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| Run Gauss this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~398 | Automated safety check: Pass | LGPL-3.0-or-later | |
| Knowledgebaseopen-edge-platform/edge-ai-suites | 140 | — | ~900 | Automated safety check: Pass | Apache-2.0 | |
| Knowledge Searchdataelement/bisheng | 12k | — | ~1.1k | Automated safety check: Pass | Apache-2.0 | |
| Capture Conversationoutline/outline | 41k | — | ~474 | Automated safety check: Pass | Custom licence | |
| Find And Citeoutline/outline | 41k | — | ~537 | Automated safety check: Pass | Custom licence | |
| Xhs Virtual Productchenjin-cmd/xhs-virtual-product | 729 | — | ~862 | Automated safety check: Pass | MIT |
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Related
Works with
Categories
Questions about Run Gauss
What does Run Gauss do?
Acts as a knowledge base providing environment checklists, directory/scratch management, and bash command templates. Run Gauss is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Acts as a knowledge base providing environment checklists, directory/scratch management, and bash command templates.
When should I use Run Gauss?
Run Gauss fits situations like: you need to guide the execution of Gaussian computational chemistry jobs (.gjf) on local; remote/HPC environments.
How do I install Run Gauss in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a claude-code`. Or copy the skill folder (quantum-chemistry/run-gauss in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/run-gauss in your project. Claude Code loads it when a task matches its description.
How do I install Run Gauss in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a codex`. Or copy the skill folder (quantum-chemistry/run-gauss in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/run-gauss in your project. Codex loads it when a task matches its description.
Can I use Run Gauss in Cursor, Gemini CLI or GitHub Copilot?
Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill run-gauss -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/run-gauss, .gemini/skills/run-gauss, .github/skills/run-gauss and .opencode/skills/run-gauss in your project.
What does Run Gauss need to run?
SKILL.md names no scripts, command-line tools or credentials: Run Gauss is instructions for the agent only.
Does Run Gauss access the network?
SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.
Is Run Gauss safe to install?
Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.
What licence does Run Gauss use?
Run Gauss is published under the LGPL-3.0-or-later licence (declared in SKILL.md). It allows redistribution, so the full SKILL.md is shown on this page.
How many tokens does Run Gauss use?
About 398 tokens (SKILL.md is roughly 1.6k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.
What are the alternatives to Run Gauss?
Skills that share tags, products or a category with Run Gauss: Knowledgebase (open-edge-platform/edge-ai-suites, 140 stars), Knowledge Search (dataelement/bisheng, 12k stars), Capture Conversation (outline/outline, 41k stars) and Find And Cite (outline/outline, 41k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Run Gauss?
jinzhezenggroup (a GitHub organization) maintains it in jinzhezenggroup/computational-chemistry-agent-skills, which has 148 GitHub stars. The repository holds 62 skills in this directory. The repository was last updated on October 9, 2026.
Source: jinzhezenggroup/computational-chemistry-agent-skills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.