CITATION.cff

# codemeta.json is generated from this file: after changing it, run
# ./update-codemeta.sh and commit the regenerated file as well.
cff-version: 1.2.0
message: "If you use this software, please cite the article from preferred-citation (https://doi.org/10.21105/joss.11185)."
title: "LAMMPS-GUI: A Cross-Platform Graphical Tool to Learn and Explore Molecular Dynamics with LAMMPS"
abstract: >-
  LAMMPS-GUI is a cross-platform Qt-based graphical application for the
  LAMMPS molecular dynamics simulation software. It integrates an
  input-script editor, live simulation execution via the LAMMPS library
  interface, log and thermodynamic-data viewing, interactive plotting, and
  snapshot/slide-show visualization into a single tool aimed at learning and
  exploring molecular dynamics with LAMMPS.
type: software
authors:
  - family-names: Kohlmeyer
    given-names: Axel
    orcid: "https://orcid.org/0000-0001-6204-6475"
    affiliation: "Institute for Computational Molecular Science, Temple University, Philadelphia, PA, USA"
version: "3.1.1"
date-released: "2026-09-30"
license: GPL-2.0-or-later
repository-code: "https://github.com/lammps/lammps-gui"
url: "https://lammps-gui.lammps.org/"
keywords:
  - molecular dynamics
  - LAMMPS
  - Qt
  - scientific visualization
  - simulation
  - research software
preferred-citation:
  type: article
  title: "LAMMPS-GUI: A Cross-Platform Graphical Tool to Learn and Explore Molecular Dynamics with LAMMPS"
  authors:
    - family-names: Kohlmeyer
      given-names: Axel
      orcid: "https://orcid.org/0000-0001-6204-6475"
      affiliation: "Institute for Computational Molecular Science, Temple University, Philadelphia, PA, USA"
  journal: "Journal of Open Source Software"
  publisher:
    name: "The Open Journal"
  year: 2026
  volume: XX
  issue: XXX
  start: 11185
  doi: "10.21105/joss.11185"
  url: "https://doi.org/10.21105/joss.11185"