LAMMPS tutorials

This is the repository of the LAMMPS tutorials webpage. All the LAMMPS input scripts and data files can be found in a separate repository.

About LAMMPS tutorials

The LAMMPStutorials website is made of seven tutorials that are ordered by increasing difficulty. Lennard-Jones fluid is meant for absolute LAMMPS and molecular dynamics beginners, and the complexity of the simulation is progressively increased for Pulling on a carbon nanotube, Polymer in water, Nanosheared electrolyte, and Reactive silicon dioxide. Finally, Water adsorption in silica and [Free energy calculation use some more advanced simulation methods that are commonly used when studying soft matter systems, respectively grand canonical Monte Carlo simulations and a free energy method named umbrella sampling.

Access the files

You can access all the files by cloning this repository with its submodules:

git clone https://github.com/lammpstutorials/lammpstutorials.github.io.git --recurse-submodule

Alternatively, you can download the inputs only:

git clone https://github.com/lammpstutorials/lammpstutorials.github.io.git

The Matplotlib Pyplot functions for the figures are shared here.

Template

The template from the first page has been adapted from HTML5 UP. The other pages use the Sphinx generator with the furo style.

About me & Contact

I am a computer physicist in soft matter and fluids at interfaces. You can find more information on my personal webpage.

See the contact page. You can report issues here on Github, or send me an email. Your feedback is always appreciated.

License and Acknowledgments

All the LAMMPS inputs/data/parameter files and Python scripts are released under the GNU general public license v3.0: feel free to adapt and re-publish them.

This project has received funding from the European Union's Horizon 2020 research and innovation programme under the Marie Skłodowska-Curie grant agreement No 101065060.