Input files for LAMMPS Materials Science tutorials

LAMMPS and Python input files corresponding associated with matsci-tutorials-article.

The files include:

• LAMMPS data files, input files, and parameter files,
• the detailed solutions to the exercises,
• Python scripts for generating structures and analyzing data.

Authors

• Simon Gravelle, Université Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.
• Mark A. Tschopp, DEVCOM Army Research Laboratory.
• Jacob Gissinger, Stevens Institute of Technology, Hoboken, NJ 07030, USA.
• Axel Kohlmeyer (corr. author), Institute for Computational Molecular Science, Temple University, Philadelphia, PA 19122, USA.

Acknowledgements

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, US National Science Foundation via Major Research Infrastructure grant numbers: 1625061 and 2216289, and CCDC-ARL under Cooperative Agreement Number W911NF-21-2-0007.