Audit Preparation
sickn33/agentic-awesome-skills
Audit preparation register: required document, period covered, request and receipt dates, preparer and reviewer, auditor queries and adjustments.
Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings.
LGPL-3.0-or-laterAuto-check passed
Install Relax
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill relax -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills relax --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/dftbplus/relax .claude/skills/relax && 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 "relax" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus/relax into .claude/skills/relax/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "relax", 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/dftbplus/relaxType 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 relax -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills relax --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/dftbplus/relax .agents/skills/relax && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "relax" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus/relax into .agents/skills/relax/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "relax", 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 relax -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills relax --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/dftbplus/relax .cursor/skills/relax && 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 "relax" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus/relax into .cursor/skills/relax/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "relax", 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/dftbplus/relax--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 relax -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills relax --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/dftbplus/relax .gemini/skills/relax && 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 "relax" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus/relax into .gemini/skills/relax/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "relax", 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 relaxInstalls 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 relax -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/dftbplus/relax .github/skills/relax && 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 "relax" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus/relax into .github/skills/relax/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "relax", 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 relax -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 relax --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/dftbplus/relax .opencode/skills/relax && 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 "relax" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dftbplus/relax into .opencode/skills/relax/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "relax", 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
relax- GitHub stars
- 148
- Token cost
- ~357 tokens
- SKILL.md length
- 111 words
- Files
- 1
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- LGPL-3.0-or-later
At a glance
Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings.
- Works in 5 steps: relaxation-task input/script layout → explicit relaxation-policy rationale → settings summary and assumptions → …
- The user needs ion-only
- SKILL.md covers Scope, Relax intent is mandatory, Must provide and Usually should be explicit, plus 1 more section
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Relax is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.
Its SKILL.md is about 360 tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts. Compatibility notes: Requires a user-provided structure, valid Slater-Koster parameter files, and runnable DFTB+ environment.
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
- The user needs ion-only
- Cell-coupled structural optimization
Example prompts
- “/relax”
Requirements
- Compatibility (from SKILL.md): Requires a user-provided structure, valid Slater-Koster parameter files, and runnable DFTB+ environment.
Workflow steps
5 steps, taken from the first numbered list in SKILL.md.
- relaxation-task input/script layout
- explicit relaxation-policy rationale
- settings summary and assumptions
- unresolved choices for confirmation
- handoff note to dpdisp-submit if execution is requested
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.
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.
Compatibility
Requires a user-provided structure, valid Slater-Koster parameter files, and runnable DFTB+ environment.
From compatibility in the SKILL.md frontmatter.
Context cost
Relax loads about 357 tokens when it runs. Until then it costs about 46 tokens; SKILL.md has 111 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). 111 words, ~357 tokens.
Download SKILL.mdSave it as
.claude/skills/relax/SKILL.md (or your agent's skills folder).- name
- relax
- description
- Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Use when the user needs ion-only or cell-coupled structural optimization.
- compatibility
- Requires a user-provided structure, valid Slater-Koster parameter files, and runnable DFTB+ environment.
- catalog-hidden
- true
- license
- LGPL-3.0-or-later
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://github.com/dftbplus/dftbplus
DFTB+ Relax (Subskill)
Scope
This skill prepares relaxation tasks only.
It should generate:
- geometry input
- relaxation-capable
dftb_in.hsd - explicit optimizer/convergence controls
It should not submit or execute jobs.
Relax intent is mandatory
Before preparing inputs, classify intent:
- ion-only relaxation
- cell+ion relaxation
- constrained relaxation (e.g., slab constraints)
If intent is ambiguous, ask for clarification.
Must provide
- structure input
- SK parameter set choice
- optimizer settings and convergence target
- SCC and k-point policies
Usually should be explicit
- stress/cell update policy
- fixed-atom/layer constraints
- charge/spin initialization when relevant
Expected output
- relaxation-task input/script layout
- explicit relaxation-policy rationale
- settings summary and assumptions
- unresolved choices for confirmation
- handoff note to
dpdisp-submitif execution is requested
© 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/dftbplus/relax of jinzhezenggroup/computational-chemistry-agent-skills.
Open the folder on GitHubat commit 5c19e75
Compare with similar skills
Relax 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 |
|---|---|---|---|---|---|---|
| Relax this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~357 | Automated safety check: Pass | LGPL-3.0-or-later | |
| Audit Preparationsickn33/agentic-awesome-skills | 47k | 1 repos | ~5.3k | Automated safety check: Pass | MIT | |
| Od Next Media Inputsnexu-io/open-design | 100k | — | ~1.1k | Automated safety check: Pass | Apache-2.0 | |
| Search Inputthedaviddias/Front-End-Checklist | 74k | — | ~402 | Automated safety check: Pass | MIT | |
| Input Typesthedaviddias/Front-End-Checklist | 74k | — | ~487 | Automated safety check: Pass | MIT | |
| Paste Inputsthedaviddias/Front-End-Checklist | 74k | — | ~443 | Automated safety check: Pass | MIT |
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Questions about Relax
What does Relax do?
Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings. Relax is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Prepare DFTB+ geometry-relaxation task inputs from a user-provided structure and optimization settings.
When should I use Relax?
Relax fits situations like: the user needs ion-only; cell-coupled structural optimization.
How do I install Relax in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill relax -a claude-code`. Or copy the skill folder (quantum-chemistry/dftbplus/relax in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/relax in your project. Claude Code loads it when a task matches its description.
How do I install Relax in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill relax -a codex`. Or copy the skill folder (quantum-chemistry/dftbplus/relax in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/relax in your project. Codex loads it when a task matches its description.
Can I use Relax 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 relax -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/relax, .gemini/skills/relax, .github/skills/relax and .opencode/skills/relax in your project.
What does Relax need to run?
SKILL.md names no scripts, command-line tools or credentials: Relax is instructions for the agent only. Compatibility (from SKILL.md): Requires a user-provided structure, valid Slater-Koster parameter files, and runnable DFTB+ environment..
Does Relax 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 Relax 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 Relax use?
Relax 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 Relax use?
About 357 tokens (SKILL.md is roughly 1.4k 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 Relax?
Skills that share tags, products or a category with Relax: Audit Preparation (sickn33/agentic-awesome-skills, 47k stars), Od Next Media Inputs (nexu-io/open-design, 100k stars), Search Input (thedaviddias/Front-End-Checklist, 74k stars) and Input Types (thedaviddias/Front-End-Checklist, 74k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Relax?
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.