Agent skill

Nanotube Generation

by Hello-QM in Hello-QM/catgo-LRG

A skill your agent uses when the user asks to build a nanotube, roll up a 2D sheet into a tube, create a carbon nanotube (CNT), boron nitride nanotube (BNNT), or specify chiral indices (n, m).

AGPL-3.0Auto-check passed

Install Nanotube Generation

skills CLI
$ npx skills add Hello-QM/catgo-LRG --skill nanotube-generation -a claude-code

Project install by default; add -g for ~/.claude/skills/.

GitHub CLI
$ gh skill install Hello-QM/catgo-LRG nanotube-generation --agent claude-code

Project scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).

Manual copy
$ git clone --depth 1 https://github.com/Hello-QM/catgo-LRG.git skills-src && mkdir -p .claude/skills && cp -r skills-src/.claude/skills/structure-nanotube .claude/skills/nanotube-generation && rm -rf skills-src

Use ~/.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/

Facts

Skill name
nanotube-generation
GitHub stars
205
Token cost
~1.1k tokens
SKILL.md length
402 words
Files
1
Skills in repo
75
Repo updated
First seen
Licence
AGPL-3.0

At a glance

A skill your agent uses when the user asks to build a nanotube, roll up a 2D sheet into a tube, create a carbon nanotube (CNT), boron nitride nanotube (BNNT), or specify chiral indices (n, m).

  • Works in 4 steps: Check nanotube geometry → Build the nanotube → Verify in viewer → …
  • The user asks to build a nanotube
  • SKILL.md covers Overview, Chirality Quick Reference, MCP Tools and Complete Workflow: (10,0)…, plus 3 more sections
  • Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md

What it does

Nanotube Generation is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to build a nanotube, roll up a 2D sheet into a tube, create a carbon nanotube (CNT), boron nitride nanotube (BNNT), or specify chiral indices (n, m).

Its SKILL.md is about 1.1k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.

The repository describes itself as: AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission… The licence is AGPL-3.0.

When your agent uses it

  • The user asks to build a nanotube
  • Roll up a 2D sheet into a tube
  • Create a carbon nanotube (CNT)
  • Boron nitride nanotube (BNNT)

Example prompts

  • “/nanotube-generation”

Workflow steps

4 steps, taken from the step headings in SKILL.md.

  1. Check nanotube geometry
  2. Build the nanotube
  3. Verify in viewer
  4. Relax with DFT

What it can do on your machine

Read from SKILL.md and the folder at commit fd6291b. 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 json).

    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

Nanotube Generation loads about 1.1k tokens when it runs. Until then it costs about 48 tokens; SKILL.md has 402 words of instructions outside code blocks.

Always · name and description, kept in context so the agent knows when to use it
~48
When it runs · the whole SKILL.md, loaded when a task matches
~1.1k

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 Hello-QM/catgo-LRG at commit fd6291b, republished under its AGPL-3.0 licence (© Hello-QM). 402 words, ~1,063 tokens.

Download SKILL.mdSave it as .claude/skills/nanotube-generation/SKILL.md (or your agent's skills folder).
name
nanotube-generation
description
Use when the user asks to build a nanotube, roll up a 2D sheet into a tube, create a carbon nanotube (CNT), boron nitride nanotube (BNNT), or specify chiral indices (n, m).

Nanotube Generation

Overview

Nanotubes are formed by rolling a 2D sheet into a cylinder defined by chiral indices (n, m). The chirality determines electronic and mechanical properties.

Common applications:

  • Carbon nanotubes (CNTs): electronics, composites, catalysis
  • Boron nitride nanotubes (BNNTs): high-temperature insulation, radiation shielding
  • MoS2 / WS2 nanotubes: lubricants, batteries, photocatalysis
  • Custom 2D roll-ups: any 2D material loaded in the viewer

Chirality Quick Reference

TypeConditionElectronic Character (CNT)
Armchairn = mMetallic
Zigzagm = 0Metallic if n mod 3 = 0, else semiconducting
Chiraln != m, m != 0Metallic if (n - m) mod 3 = 0, else semiconducting

MCP Tools

catgo_nanotube_info -- Query geometry before building
json
{"tool": "catgo_nanotube_info", "arguments": {
  "n": 10, "m": 0,
  "bond_length": 1.42
}}

Returns diameter, circumference, chiral angle, translational vector length, and estimated atom count without building the structure. Use this to check size before committing to a build.

catgo_nanotube_build -- Build the nanotube
json
{"tool": "catgo_nanotube_build", "arguments": {
  "n": 10, "m": 0,
  "length": 20.0,
  "bond_length": 1.42
}}
ParameterDescriptionDefault
n, mChiral indices(required)
lengthTube length in Angstromsone translational period
bond_lengthC-C bond length in Angstroms1.42

The tool accepts either a loaded 2D structure from the viewer or explicit lattice vectors / basis coordinates. For carbon nanotubes, the default graphene sheet is used automatically.

Router: /nanotube/info (POST), /nanotube/build (POST)

Complete Workflow: (10,0) Zigzag CNT Relaxation

Step 1: Check nanotube geometry
json
{"tool": "catgo_nanotube_info", "arguments": {
  "n": 10, "m": 0
}}

Verify the diameter (~7.8 A) and atom count are reasonable for DFT.

Step 2: Build the nanotube
json
{"tool": "catgo_nanotube_build", "arguments": {
  "n": 10, "m": 0,
  "length": 12.5
}}
Step 3: Verify in viewer
json
{"tool": "catgo_view", "arguments": {"action": "get_state"}}

Check: cylindrical geometry, no overlapping atoms, correct atom count.

Step 4: Relax with DFT
json
{"tool": "catgo_workflow_engine", "arguments": {
  "action": "create", "params": {"name": "(10,0) CNT relaxation"}
}}
json
{"tool": "catgo_workflow_engine", "arguments": {
  "action": "add_task", "params": {
    "workflow_id": "<wf_id>",
    "task_type": "geo_opt",
    "params": {"software": "vasp", "ENCUT": 520, "ISPIN": 1,
               "system_name": "CNT-10-0 relax"}
  }
}}
Show full SKILL.md (167 more words)Show less

Multi-walled Nanotubes (MWNT)

The backend supports multi-walled nanotubes via additional walls. Each wall is defined by its own chiral indices. The inter-wall spacing defaults to ~3.4 A (van der Waals distance for graphitic layers).

Non-Carbon Nanotubes

To build a BN nanotube or MoS2 nanotube:

  1. Fetch or load the 2D monolayer structure (e.g., hexagonal BN)
  2. The nanotube builder rolls up whatever 2D structure is loaded
json
{"tool": "catgo_fetch", "arguments": {
  "action": "crystal", "formula": "BN", "source": "mc3d"
}}

Then build the nanotube from the loaded structure.

Common Pitfalls

  1. Large chiral indices (n > 30) produce structures with thousands of atoms. Check atom count with catgo_nanotube_info before building.
  2. The tube length should be at least one translational period for meaningful periodic calculations.
  3. For DFT on nanotubes, ensure sufficient vacuum in the non-periodic directions (at least 12-15 A between periodic images).
  4. Bond length 1.42 A is for graphene/CNT. Use 1.45 A for BN, 2.42 A for MoS2.
  5. Semiconducting CNTs require careful k-point sampling along the tube axis. Use at least 1x1x8 k-points for a single unit cell.

© Hello-QM, AGPL-3.0. 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 .claude/skills/structure-nanotube of Hello-QM/catgo-LRG.

Open the folder on GitHubat commit fd6291b

Compare with similar skills

Nanotube Generation 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.

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Questions about Nanotube Generation

What does Nanotube Generation do?

A skill your agent uses when the user asks to build a nanotube, roll up a 2D sheet into a tube, create a carbon nanotube (CNT), boron nitride nanotube (BNNT), or specify chiral indices (n, m). Nanotube Generation is an agent skill from Hello-QM/catgo-LRG. Use when the user asks to build a nanotube, roll up a 2D sheet into a tube, create a carbon nanotube (CNT), boron nitride nanotube (BNNT), or specify chiral indices (n, m).

When should I use Nanotube Generation?

Nanotube Generation fits situations like: the user asks to build a nanotube; roll up a 2D sheet into a tube; create a carbon nanotube (CNT); boron nitride nanotube (BNNT).

How do I install Nanotube Generation in Claude Code?

Run `npx skills add Hello-QM/catgo-LRG --skill nanotube-generation -a claude-code`. Or copy the skill folder (.claude/skills/structure-nanotube in Hello-QM/catgo-LRG) into .claude/skills/nanotube-generation in your project. Claude Code loads it when a task matches its description.

How do I install Nanotube Generation in Codex?

Run `npx skills add Hello-QM/catgo-LRG --skill nanotube-generation -a codex`. Or copy the skill folder (.claude/skills/structure-nanotube in Hello-QM/catgo-LRG) into .agents/skills/nanotube-generation in your project. Codex loads it when a task matches its description.

Can I use Nanotube Generation 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 Hello-QM/catgo-LRG --skill nanotube-generation -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/nanotube-generation, .gemini/skills/nanotube-generation, .github/skills/nanotube-generation and .opencode/skills/nanotube-generation in your project.

What does Nanotube Generation need to run?

SKILL.md names no scripts, command-line tools or credentials: Nanotube Generation is instructions for the agent only.

Does Nanotube Generation 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 Nanotube Generation 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 Nanotube Generation use?

Nanotube Generation is published under the AGPL-3.0 licence (the repository's licence). It allows redistribution, so the full SKILL.md is shown on this page.

How many tokens does Nanotube Generation 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.

What are the alternatives to Nanotube Generation?

Skills that share tags, products or a category with Nanotube Generation: Playwright Roll (microsoft/playwright-dotnet, 3k stars), Bioconductor Nanotube (bioMate-AI/biomate-bioconductor-kb, 804 stars), Release Cut And Demo Roll (carverauto/serviceradar, 921 stars) and Ib Find Short Roll (staskh/trading_skills, 376 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.

Who maintains Nanotube Generation?

Hello-QM (a GitHub user) maintains it in Hello-QM/catgo-LRG, which has 205 GitHub stars. The repository holds 75 skills in this directory. The repository was last updated on September 22, 2026.

Source: Hello-QM/catgo-LRG on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.