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 input files from 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 last version of the .pdf from
the Actions tab here on GitHub,
or clone this repository and compile the .tex file yourself by typing in a terminal:
make
This will generate the .pdf version of the tutorial. Ensure you have LaTeX and the necessary dependencies installed on your system before attempting to compile.
We welcome contributions to improve the tutorials. If you encounter any issues, have suggestions, or want to ask questions, please open an issue in this repository. You can also contribute by submitting a pull request to improve the tutorials or fix any bugs. Your feedback and contributions help make the tutorials more useful for everyone.
This project is licensed under the Creative Commons Attribution 4.0 International License. This license covers all the input files/ and tutorial content. For more details, see the LICENSE file.
- Simon Gravelle (corr. author), Université 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 N°101065060.
- Axel Kohlmeyer acknowledges financial support from Sandia National Laboratories under POs 2149742 and 2407526.