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These tutorials were recreated from my original tutorials at Mississippi State University (MSU) Center for Advanced Vehicular Systems (CAVS) website with updates to codes within Jupyter Notebooks. I hope this helps with everyone's learning curves for LAMMPS! Thanks.
Update (July 2026): These tutorials are now fully self-contained — all figures and data files live in this repository, so nothing depends on the old MSU/CAVS ICME wiki (now retired; an archived copy lives on the Wayback Machine). An MIT license has also been added — use these however you like.
Looking for more LAMMPS tutorials? The team behind lammpstutorials.github.io published a set of soft-matter LAMMPS tutorials in LiveCoMS (Gravelle, Gissinger & Kohlmeyer, 2025) — an excellent next step beyond these.
- Click here to open Tutorial 1. Run LAMMPS! Learn how to calculate the minimum energy lattice structure
- Click here to open Tutorial 2. Run LAMMPS! Learn how to feed variables through the command line and mine log file for values to plot in MATLAB or Python
- Click here to open Tutorial 3. Run LAMMPS! Learn how to deform a simulation cell in tension and visualize the results
- Click here to open Tutorial 4. Run LAMMPS! Learn how to deform a simulation cell in compression and visualize the results
- Click here to open Tutorial 5. Run LAMMPS! Learn how to make a grain boundary
- Click here to open Tutorial 6. Run LAMMPS! Learn how to strain a grain boundary until fracture
- Click here to open Tutorial 7. Run LAMMPS! Learn how to compute a number of per-atom metrics for use outside LAMMPS
- Click here to open Tutorial 8. Run LAMMPS! Learn how to add a 100-united atom polymer chain to LAMMPS
I've even tried to update the scripts here to some of the newer LAMMPS versions. So far so good!
Beginner to Python, Anaconda, Jupyter Notebooks, too?