القائمة
Build carbon nanotubes (CNTs) of any chirality (n,m), length, bond, and PBC.
التثبيت باستخدام Codex أو Claude انسخ هذا Prompt والصقه في Codex أو Claude أو مساعد آخر ليراجع صفحة Skill ويثبّتها لك.
استنادا إلى تصنيف SOC المهني
Build common bulk crystal structures (FCC/BCC/HCP/diamond/zincblende/...) using ASE.
Build a coherent lattice-matched interface between two bulk structures using the pymatgen ZSL algorithm.
Workflow, lattice-matching strategies, and pitfalls for building interfaces between two crystals/surfaces.
Strategies for searching, filtering, and downloading structures from the Materials Project (MP) database.
Workflow for building Metal-Organic Framework (MOF) structures (MOF-5, Cu-BTC, IRMOF series, custom).
Methods for building isolated molecules (ASE database, SMILES via RDKit, organometallics, endohedral cages, NEB pathways).
| name | nanotube-builder |
| description | Build carbon nanotubes (CNTs) of any chirality (n,m), length, bond, and PBC. |
| when_to_use | Use when the user asks to build a CNT, an armchair/zigzag/chiral tube, or a starting tube to be filled later. Pair with `nanostructure-creation` for the design checklist. |
| entry | scripts/nanotube_builder.py |
Single-command CLI built on top of ase.build.nanotube. Reports diameter,
chirality type (armchair / zigzag / chiral), tube length, cell, and atom count.
python3 scripts/nanotube_builder.py build_nanotube --n 7 --m 7 --length 4
python3 scripts/nanotube_builder.py build_nanotube --n 10 --m 0 --length 6 --bond 1.42 --vacuum 20.0
For chirality / diameter rules of thumb and post-build steps (filling,
thermal perturbation, PBC consistency), read the
nanostructure-creation skill.