Search Input
thedaviddias/Front-End-Checklist
A skill your agent uses when reviewing templates, rendered HTML, or shared components related to Make search inputs accessible.
Use VASPKIT to generate VASP helper inputs and post-process VASP outputs, including KPOINTS, band paths, DOS/band data, charge-density differences, planar averages, Bader charge coloring helpers…
Custom licenceAuto-check passed
Install Vaspkit
$ npx skills add JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist vaspkit --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/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .claude/skills && cp -r skills-src/tools/vaspkit .claude/skills/vaspkit && 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 "vaspkit" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/vaspkit into .claude/skills/vaspkit/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "vaspkit", 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/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/vaspkitType 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 JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist vaspkit --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .agents/skills && cp -r skills-src/tools/vaspkit .agents/skills/vaspkit && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "vaspkit" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/vaspkit into .agents/skills/vaspkit/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "vaspkit", 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 JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist vaspkit --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/tools/vaspkit .cursor/skills/vaspkit && 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 "vaspkit" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/vaspkit into .cursor/skills/vaspkit/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "vaspkit", 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/JCLiuGroup/AI-Computational-Chemist.git --path tools/vaspkit--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 JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist vaspkit --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/tools/vaspkit .gemini/skills/vaspkit && 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 "vaspkit" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/vaspkit into .gemini/skills/vaspkit/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "vaspkit", 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 JCLiuGroup/AI-Computational-Chemist vaspkitInstalls 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 JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .github/skills && cp -r skills-src/tools/vaspkit .github/skills/vaspkit && 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 "vaspkit" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/vaspkit into .github/skills/vaspkit/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "vaspkit", 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 JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist vaspkit --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/tools/vaspkit .opencode/skills/vaspkit && 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 "vaspkit" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/vaspkit into .opencode/skills/vaspkit/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "vaspkit", 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
vaspkit- GitHub stars
- 145
- Used in
- 1 other repo
- Token cost
- ~1.1k tokens
- SKILL.md length
- 435 words
- Files
- 12 (incl. scripts, references)
- Skills in repo
- 21
- Repo updated
- First seen
- Licence
- Custom licence
At a glance
Use VASPKIT to generate VASP helper inputs and post-process VASP outputs, including KPOINTS, band paths, DOS/band data, charge-density differences, planar averages, Bader charge coloring helpers…
- Works in 5 steps: Use the vasp skill to confirm the… → Read running.md for the relevant VASPKIT… → Run uv run scripts/check_vaspkit.py… → …
- SKILL.md covers Required inputs, Where to find what, Workflow and Hard guardrails
- Runs Python scripts from its folder; calls uv
What it does
Vaspkit is an agent skill from JCLiuGroup/AI-Computational-Chemist. Use VASPKIT to generate VASP helper inputs and post-process VASP outputs, including KPOINTS, band paths, DOS/band data, charge-density differences, planar averages, Bader charge coloring helpers, real-space wavefunctions, partial/orbital charge density, work functions, elastic/EOS summaries, thermochemistry/free-energy corrections, AIMD trajectory post-processing (MSD, diffusion, VACF, VDOS, RDF/trajectory conversion), and batch analysis.
Its SKILL.md is about 1.1k tokens, which your agent loads only when the skill is triggered. The skill folder holds 14 other files, including scripts and reference files (for example `examples/README.md`, `references/aimd-postprocessing.md` and `references/dos-band.md`).
Example prompts
- “/vaspkit”
Requirements
- Python 3
Workflow steps
5 steps, taken from the first numbered list in SKILL.md.
- Use the vasp skill to confirm the upstream VASP run is technically valid.
- Read running.md for the relevant VASPKIT task family and required input files.
- Run uv run scripts/check_vaspkit.py RUNDIR; fix missing config, executable, or VASP files first.
- Run VASPKIT interactively for a new task; record every menu choice. Use run_vaspkit_task.py only after the input sequence is known.
- Validate generated outputs with validation.md; record source files, task IDs, energy reference, and version.
What it can do on your machine
Read from SKILL.md and the folder at commit e27b555. 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
Ships 2 files in scripts/ (Python), which the agent can run.
Shell commands in SKILL.md call:
uv
From the folder's file list and the shell code blocks in SKILL.md.
Network
No URLs in SKILL.md. Its commands use uv, which can reach the network depending on how they are called.
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
Vaspkit loads about 1.1k tokens when it runs, and up to ~11k if it reads all its reference files. Until then it costs about 113 tokens; SKILL.md has 435 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); the scripts in this folder are not scanned.
SKILL.md
Its licence (Custom licence) doesn't allow us to republish the file, so here is its outline and opening line. It has 435 words (~1,074 tokens).
“Use this skill when VASP data already exist or VASP helper inputs must be generated with VASPKIT. VASPKIT is an assistant around VASP; it does not replace the vasp skill's method selection, convergence checks, or provenance rules.”
- name
- vaspkit
Files
SKILL.md and 11 other files (scripts, references) in tools/vaspkit of JCLiuGroup/AI-Computational-Chemist.
- SKILL.md
- examples/README.md
- references/aimd-postprocessing.md
- references/dos-band.md
- references/electronic-analysis.md
- references/errors.md
- references/resources.md
- references/running.md
- references/thermochemistry.md
- references/validation.md
- scripts/check_vaspkit.py
- scripts/run_vaspkit_task.py
Open the folder on GitHubat commit e27b555
Used in 1 other repository
We found 2 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in JCLiuGroup/AI-Computational-Chemist, which our catalogue first saw on October 7, 2026.
Compare with similar skills
Vaspkit 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 |
|---|---|---|---|---|---|---|
| Vaspkit this skillJCLiuGroup/AI-Computational-Chemist | 145 | 1 repos | ~1.1k | Automated safety check: Pass | Custom licence | |
| 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 | |
| Od Next Media Inputsnexu-io/open-design | 100k | — | ~1.1k | Automated safety check: Pass | Apache-2.0 | |
| Aria Input Field Namethedaviddias/Front-End-Checklist | 74k | — | ~853 | Automated safety check: Pass | MIT |
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Questions about Vaspkit
What does Vaspkit do?
Use VASPKIT to generate VASP helper inputs and post-process VASP outputs, including KPOINTS, band paths, DOS/band data, charge-density differences, planar averages, Bader charge coloring helpers…. Vaspkit is an agent skill from JCLiuGroup/AI-Computational-Chemist. Use VASPKIT to generate VASP helper inputs and post-process VASP outputs, including KPOINTS, band paths, DOS/band data, charge-density differences, planar averages, Bader charge coloring helpers, real-space wavefunctions, partial/orbital charge density, work functions, elastic/EOS summaries, thermochemistry/free-energy corrections, AIMD trajectory post-processing (MSD, diffusion, VACF, VDOS, RDF/trajectory conversion), and batch analysis.
How do I install Vaspkit in Claude Code?
Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a claude-code`. Or copy the skill folder (tools/vaspkit in JCLiuGroup/AI-Computational-Chemist) into .claude/skills/vaspkit in your project. Claude Code loads it when a task matches its description.
How do I install Vaspkit in Codex?
Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a codex`. Or copy the skill folder (tools/vaspkit in JCLiuGroup/AI-Computational-Chemist) into .agents/skills/vaspkit in your project. Codex loads it when a task matches its description.
Can I use Vaspkit 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 JCLiuGroup/AI-Computational-Chemist --skill vaspkit -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/vaspkit, .gemini/skills/vaspkit, .github/skills/vaspkit and .opencode/skills/vaspkit in your project.
What does Vaspkit need to run?
Going by SKILL.md and its folder, Vaspkit needs Python for the scripts in its folder and the command-line tools its instructions call (uv). Our summary lists: Python 3.
Does Vaspkit access the network?
SKILL.md contains no URLs. Its commands use uv, which can reach the network depending on how they are called. This is read from the text; nothing was executed.
Is Vaspkit 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. The check reads SKILL.md only: the scripts in the folder are not scanned, so read them before running anything.
What licence does Vaspkit use?
Vaspkit has a licence file (the repository's licence) that doesn't match a standard licence. Read it on GitHub before reusing the skill.
How many tokens does Vaspkit use?
About 1.1k tokens (SKILL.md is roughly 4.3k 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 9.9k tokens, read only when the agent opens those files.
What are the alternatives to Vaspkit?
Skills that share tags, products or a category with Vaspkit: Search Input (thedaviddias/Front-End-Checklist, 74k stars), Input Types (thedaviddias/Front-End-Checklist, 74k stars), Paste Inputs (thedaviddias/Front-End-Checklist, 74k stars) and Od Next Media Inputs (nexu-io/open-design, 100k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Vaspkit?
JCLiuGroup (a GitHub organization) maintains it in JCLiuGroup/AI-Computational-Chemist, which has 145 GitHub stars. The repository holds 21 skills in this directory. The repository was last updated on September 27, 2026.
Source: JCLiuGroup/AI-Computational-Chemist on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.