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lammps-workflows

Official

Streamline LAMMPS workflows, from input creation to recovery.

Software Engineering#workflow automation#log analysis#atomistic simulation#lammps#input creation
Authorchatmaterials
Version1.0.0
Installs0

System Documentation

What problem does it solve?

This Skill addresses the complexities of LAMMPS atomistic simulation workflows, providing automated input creation, log review, and recovery recommendations.

Core Features & Use Cases

  • Automated Input Creation: Generates conservative input skeletons for minimize, nvt, npt, and restart workflows.
  • Log Review: Offers quick summaries from log.lammps and recovery recommendations for NaN thermo states and missing files.
  • Use Case: For a user encountering NaN values in their log.lammps, this Skill can provide a recovery plan to correct the input or force-field setup.

Quick Start

Run the lammps-workflows skill to create an NVT input skeleton for a LAMMPS simulation.

Dependency Matrix

Required Modules

python

Components

scriptsreferencesassets

💻 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: lammps-workflows
Download link: https://github.com/chatmaterials/lammps-workflows/archive/main.zip#lammps-workflows

Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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