LAMMPS and Python input files corresponding associated with lammps tutorials.
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.
Find here the main repository for LAMMPS tutorial.
- 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.