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LAMMPS Input Generator

2025
LAMMPSMDAutomationReproducibility

A small tool project to reduce repetitive manual editing when running LAMMPS simulations. The goal is to generate consistent, reusable input files from a structured configuration.

GitHub

What it does

  • Generates LAMMPS input files from configurable settings.
  • Helps standardize simulation runs for reproducibility.
  • Minimizes copy-paste mistakes by keeping parameters structured.

My role

Designed the configuration-driven structure and implemented the generator workflow. Organized typical simulation settings so they can be reused across systems.

Figure

LAMMPS Input Generator figure

How to run

git clone https://github.com/Gibeom-KIM-02/lammps_input_generator
cd lammps_input_generator

See the repository README for the exact CLI and config format.