This article introduces a suite of tutorials designed to make learning LAMMPS more accessible to new users.
- Tutorial 1: Lennard-Jones fluid
- Tutorial 2: Pulling on a carbon nanotube
- Tutorial 3: Polymer in water
- Tutorial 4: Nanosheared electrolyte
- Tutorial 5: Reactive silicon dioxide
- Tutorial 6: Water adsorption in silica
- Tutorial 7: Free energy calculation
- Tutorial 8: Reactive Molecular Dynamics
All the files corresponding to the tutorials can be found in the files/ folder. The Python scripts used to generate the plots are also provided.
For each tutorial, a .manifest file lists all the files required to
follow the tutorial. These files can be downloaded from the LAMMPS-GUI by
selecting Start Tutorial X. The solutions to the tutorials are provided
within the solution repository located in each tutorial folder.
Access the .pdf from this link, or clone this repository
and compile the .tex file yourself by typing in a terminal:
make
We welcome contributions. If you encounter any issues, have suggestions, or want to ask questions, please feel free to open an issue in this repository. Your feedback can help us improve the tutorials and make them more useful for everyone.
This project is licensed under the Creative Commons BY 4.0 License. For more details, see the LICENSE file.
- Simon Gravelle (corresponding author), Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France
- 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 No 101065060.
- Axel Kohlmeyer acknowledges financial support by Sandia National Laboratories under POs 2149742 and 2407526.