Material and guides for LAMMPS beginner. The main website can be accessed from this page. The LAMMPS inputs are provided in a dedicated repository, together with the data files, scripts, and parameter files. The functions used for the Matplotlib graphs are available here.
Figure: Lennard-Jones fluid mixture from tutorial 1 (left), Carbon nanotube from tutorial 2 (middle), and water molecules in a cracked silica from tutorial 6 (right).
The manuscript is available on GitHub.
If these tutorials are useful to you, please cite:
A Set of Tutorials for the LAMMPS Simulation Package
arXiv: 2503.14020 [physics.comp-ph]
DOI: 10.48550/arXiv.2503.14020
- Simon Gravelle (corr. author), Université Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.
- Cecilia M. S. Alvares, Department of Chemistry, University of Warwick, Coventry CV4 7AL, United Kingdom
- Jacob R. Gissinger, Stevens Institute of Technology, Hoboken, NJ 07030, USA.
- Axel Kohlmeyer, Institute for Computational Molecular Science, Temple University, Philadelphia, PA 19122, USA.
- Simon Gravelle acknowledges funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement N°101065060.
- Axel Kohlmeyer acknowledges financial support from Sandia National Laboratories under POs 2149742 and 2407526.
