OmniRoute Routing CLI
diegosouzapw/OmniRoute
Creates, switches, and inspects OmniRoute model-routing combos, plus a suggestion command with cost and latency constraints.
Route GPAW DFT requests to task-specific subskills based on user intent.
LGPL-3.0-or-laterAuto-check passed
Install Dft Gpaw
$ npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dft-gpaw -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dft-gpaw --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/dft-gpaw .claude/skills/dft-gpaw && 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 "dft-gpaw" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw into .claude/skills/dft-gpaw/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dft-gpaw", 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/dft-gpawType 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 dft-gpaw -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dft-gpaw --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/dft-gpaw .agents/skills/dft-gpaw && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "dft-gpaw" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw into .agents/skills/dft-gpaw/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dft-gpaw", 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 dft-gpaw -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dft-gpaw --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/dft-gpaw .cursor/skills/dft-gpaw && 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 "dft-gpaw" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw into .cursor/skills/dft-gpaw/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dft-gpaw", 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/dft-gpaw--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 dft-gpaw -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jinzhezenggroup/computational-chemistry-agent-skills dft-gpaw --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/dft-gpaw .gemini/skills/dft-gpaw && 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 "dft-gpaw" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw into .gemini/skills/dft-gpaw/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dft-gpaw", 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 dft-gpawInstalls 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 dft-gpaw -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/dft-gpaw .github/skills/dft-gpaw && 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 "dft-gpaw" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw into .github/skills/dft-gpaw/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dft-gpaw", 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 dft-gpaw -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 dft-gpaw --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/dft-gpaw .opencode/skills/dft-gpaw && 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 "dft-gpaw" agent skill from https://github.com/jinzhezenggroup/computational-chemistry-agent-skills/tree/master/quantum-chemistry/dft-gpaw into .opencode/skills/dft-gpaw/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "dft-gpaw", 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
dft-gpaw- GitHub stars
- 148
- Token cost
- ~585 tokens
- SKILL.md length
- 224 words
- Files
- 2 (incl. references)
- Skills in repo
- 62
- Repo updated
- First seen
- Licence
- LGPL-3.0-or-later
At a glance
Route GPAW DFT requests to task-specific subskills based on user intent.
- Works in 5 steps: If user requests single-point… → If user requests geometry optimization:… → If user requests DOS workflow: route to… → …
- The user asks for GPAW workflows and you must decide between static SCF
- SKILL.md covers Purpose, Scope, Hard requirement and Routing rules, plus 2 more sections
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Dft Gpaw is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route GPAW DFT requests to task-specific subskills based on user intent. Use when the user asks for GPAW workflows and you must decide between static SCF, relaxation, DOS, or band-structure task preparation. This orchestration skill dispatches to the correct GPAW subskill and enforces consistent handoff to submission skills.
Its SKILL.md is about 590 tokens, which your agent loads only when the skill is triggered. The skill folder holds 2 other files, including reference files (for example `references/commands-and-workflow.md`). Compatibility notes: Requires a user-provided structure and a runnable GPAW Python environment (with ASE/GPAW) in the target runtime.
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 asks for GPAW workflows and you must decide between static SCF
- Band-structure task preparation
Example prompts
- “/dft-gpaw”
Requirements
- Python 3
- Compatibility (from SKILL.md): Requires a user-provided structure and a runnable GPAW Python environment (with ASE/GPAW) in the target runtime.
Workflow steps
5 steps, taken from the first numbered list in SKILL.md.
- If user requests single-point SCF/energy: route to dft-gpaw/static.
- If user requests geometry optimization: route to dft-gpaw/relax.
- If user requests DOS workflow: route to dft-gpaw/dos.
- If user requests band-structure workflow: route to dft-gpaw/band.
- If intent is ambiguous, ask one focused clarification question before routing.
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 and a runnable GPAW Python environment (with ASE/GPAW) in the target runtime.
From compatibility in the SKILL.md frontmatter.
Context cost
Dft Gpaw loads about 585 tokens when it runs, and up to ~810 if it reads all its reference files. Until then it costs about 84 tokens; SKILL.md has 224 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). 224 words, ~585 tokens.
Download SKILL.mdSave it as
.claude/skills/dft-gpaw/SKILL.md (or your agent's skills folder). This skill also uses 1 other file; get the full folder from GitHub.- name
- dft-gpaw
- description
- Route GPAW DFT requests to task-specific subskills based on user intent. Use when the user asks for GPAW workflows and you must decide between static SCF, relaxation, DOS, or band-structure task preparation. This orchestration skill dispatches to the correct GPAW subskill and enforces consistent handoff to submission skills.
- compatibility
- Requires a user-provided structure and a runnable GPAW Python environment (with ASE/GPAW) in the target runtime.
- license
- LGPL-3.0-or-later
- metadata.author
- qqgu
- metadata.version
- 0.1.0
- metadata.repository
- https://gitlab.com/gpaw/gpaw
GPAW Task Router
Use this skill as the top-level GPAW orchestration layer.
Purpose
This skill routes requests to one task-specific GPAW subskill path:
dft-gpaw/staticdft-gpaw/relaxdft-gpaw/dosdft-gpaw/band
Scope
This router skill should:
- require a user-provided structure or prerequisite run context
- classify request intent into one GPAW task type
- collect minimal shared context before dispatch
- delegate detailed parameter handling to the selected subskill
- enforce consistent output/handoff policy across subskills
This router skill should not:
- own full task-specific Python templates for all cases
- execute or submit calculations
- bypass subskill-specific guardrails
Hard requirement
The user must provide enough starting context:
- structure input for
static/relax - prerequisite ground-state context for
dos/band
If prerequisites are missing, stop and ask for them.
Routing rules
- If user requests single-point SCF/energy: route to
dft-gpaw/static. - If user requests geometry optimization: route to
dft-gpaw/relax. - If user requests DOS workflow: route to
dft-gpaw/dos. - If user requests band-structure workflow: route to
dft-gpaw/band. - If intent is ambiguous, ask one focused clarification question before routing.
Shared policy for all subskills
- do not invent missing physical parameters
- do not fabricate restart context/results
- expose assumptions explicitly
- return handoff-ready task layout
- if execution is requested, hand off to
dpdisp-submit
Output from router
Provide:
- selected subskill path
- why it was selected
- minimal missing inputs (if any)
- explicit next step (invoke selected subskill)
© 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
SKILL.md and 1 other file (references) in quantum-chemistry/dft-gpaw of jinzhezenggroup/computational-chemistry-agent-skills.
- SKILL.md
- references/commands-and-workflow.md
Open the folder on GitHubat commit 5c19e75
Compare with similar skills
Dft Gpaw 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 |
|---|---|---|---|---|---|---|
| Dft Gpaw this skilljinzhezenggroup/computational-chemistry-agent-skills | 148 | — | ~585 | Automated safety check: Pass | LGPL-3.0-or-later | |
| OmniRoute Routing CLIdiegosouzapw/OmniRoute | 75k | — | ~342 | Automated safety check: Pass | MIT | |
| OmniRoute Combo Routingdiegosouzapw/OmniRoute | 75k | — | ~2.1k | Automated safety check: Pass | MIT | |
| Intelligence Routeruvnet/ruflo | 74k | — | ~874 | Automated safety check: Notes | MIT | |
| SPA Routes and Featureslobehub/lobehub | 83k | — | ~3.5k | Automated safety check: Pass | Custom licence | |
| Routingalsk1992/CloddsBot | 3k | — | ~1.6k | Automated safety check: Pass | MIT |
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Questions about Dft Gpaw
What does Dft Gpaw do?
Route GPAW DFT requests to task-specific subskills based on user intent. Dft Gpaw is an agent skill from jinzhezenggroup/computational-chemistry-agent-skills. Route GPAW DFT requests to task-specific subskills based on user intent.
When should I use Dft Gpaw?
Dft Gpaw fits situations like: the user asks for GPAW workflows and you must decide between static SCF; band-structure task preparation.
How do I install Dft Gpaw in Claude Code?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dft-gpaw -a claude-code`. Or copy the skill folder (quantum-chemistry/dft-gpaw in jinzhezenggroup/computational-chemistry-agent-skills) into .claude/skills/dft-gpaw in your project. Claude Code loads it when a task matches its description.
How do I install Dft Gpaw in Codex?
Run `npx skills add jinzhezenggroup/computational-chemistry-agent-skills --skill dft-gpaw -a codex`. Or copy the skill folder (quantum-chemistry/dft-gpaw in jinzhezenggroup/computational-chemistry-agent-skills) into .agents/skills/dft-gpaw in your project. Codex loads it when a task matches its description.
Can I use Dft Gpaw 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 dft-gpaw -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/dft-gpaw, .gemini/skills/dft-gpaw, .github/skills/dft-gpaw and .opencode/skills/dft-gpaw in your project.
What does Dft Gpaw need to run?
SKILL.md names no scripts, command-line tools or credentials: Dft Gpaw is instructions for the agent only. Our summary lists: Python 3. Compatibility (from SKILL.md): Requires a user-provided structure and a runnable GPAW Python environment (with ASE/GPAW) in the target runtime..
Does Dft Gpaw 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 Dft Gpaw 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 Dft Gpaw use?
Dft Gpaw 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 Dft Gpaw use?
About 585 tokens (SKILL.md is roughly 2.3k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 225 tokens, read only when the agent opens those files.
What are the alternatives to Dft Gpaw?
Skills that share tags, products or a category with Dft Gpaw: OmniRoute Routing CLI (diegosouzapw/OmniRoute, 75k stars), OmniRoute Combo Routing (diegosouzapw/OmniRoute, 75k stars), Intelligence Route (ruvnet/ruflo, 74k stars) and SPA Routes and Features (lobehub/lobehub, 83k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Dft Gpaw?
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.