hpc-lammps
OfficialBuild and debug robust LAMMPS input decks.
AuthorSciMate-AI
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Generate, review, debug, and recover LAMMPS input scripts to streamline setup, reduce errors, and accelerate MD experiment workflows.
Core Features & Use Cases
- Generate LAMMPS decks following required command-order and template guidance.
- Validate and repair existing decks to fix common issues (read_data vs create_box, atom_style, pair_style, neighbor settings, thermo outputs).
- Provide references for minimization, thermostats, outputs, and cluster execution; use cases include LJ fluids, EAM metals, and molecule-style workflows with reproducibility.
Quick Start
Provide a ready-to-run LAMMPS input deck for a simple LJ fluid with correct command order and restart-friendly structure.
Dependency Matrix
Required Modules
None requiredComponents
referencesassets
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: hpc-lammps Download link: https://github.com/SciMate-AI/scicli/archive/main.zip#hpc-lammps Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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