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LAMMPS-GUI - The graphical interface for learning and running LAMMPS

Please see the online documentation at https://lammps-gui.lammps.org/

Test Status of the development branch

Compile with Qt 5.15LTS Compile with Qt 6.x CodeQL Code Analysis Build Documentation in HTML

LAMMPS-GUI vs. LAMMPS

LAMMPS-GUI used to "live" in the "tools/lammps-gui" folder of the LAMMPS source distribution and the LAMMPS git repository. This made it easy to build LAMMPS-GUI together with LAMMPS. However, LAMMPS-GUI has matured to the point, that it is easier to maintain it as a separate package and make its release schedule independent from LAMMPS releases. It is still possible to build LAMMPS-GUI as part of a LAMMPS build same as before, but that will automatically first download the LAMMPS-GUI sources from this repository.

Citation

There is currently no citation specifically describing LAMMPS-GUI, but an introduction is contained in the publication in LiveCoMS for the LAMMPS Tutorials that are linked from LAMMPS-GUI, so the suggestion is to cite that publication for now:

@article{lammps_tutorials_2025,
  author={Gravelle, Simon and Alvares, Cecilia M. S. and Gissinger, Jacob R. and Kohlmeyer, Axel},
  title={A Set of Tutorials for the {LAMMPS} Simulation Package [Article v1.0]},
  journal={Living Journal of Computational Molecular Science},
  pages={3027},
  volume={6},
  number={1},
  year={2025},
  month={Sep.},
  url={https://livecomsjournal.org/index.php/livecoms/article/view/v6i1e3037},
  DOI={10.33011/livecoms.6.1.3037}
}

License

LAMMPS-GUI is distributed under the GNU public license version 2 or later (GPLv2+).

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