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https://github.com/lammpstutorials/lammpstutorials-article
LAMMPS tutorials for both beginners and advanced users: the article
https://github.com/lammpstutorials/lammpstutorials-article
beginner-tutorial-series beginners lammps latex livecoms tutorials
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LAMMPS tutorials for both beginners and advanced users: the article
- Host: GitHub
- URL: https://github.com/lammpstutorials/lammpstutorials-article
- Owner: lammpstutorials
- License: cc-by-4.0
- Created: 2024-06-13T11:35:59.000Z (7 months ago)
- Default Branch: main
- Last Pushed: 2024-12-28T10:22:50.000Z (8 days ago)
- Last Synced: 2024-12-28T11:22:14.537Z (8 days ago)
- Topics: beginner-tutorial-series, beginners, lammps, latex, livecoms, tutorials
- Language: Jupyter Notebook
- Homepage:
- Size: 89.4 MB
- Stars: 11
- Watchers: 1
- Forks: 0
- Open Issues: 3
-
Metadata Files:
- Readme: README.md
- License: LICENSE
Awesome Lists containing this project
README
# A Set of Tutorials for the LAMMPS Simulation Package
This article introduces a suite of tutorials designed to make learning LAMMPS
more accessible to new users.## Tutorials
- 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## Input files
All the input files from the tutorials can be found in the
[**files/**](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](https://github.com/lammpstutorials/lammpstutorials-article/actions/runs/12458522247/artifacts/2354075042) 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.## Contributing
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.## License
This project is licensed under the Creative Commons Attribution 4.0 International License. This license covers all the input [**files/**](files/) and tutorial content. For more details, see the [LICENSE](LICENSE) file.
## Authors
- [Simon Gravelle](https://github.com/simongravelle) (corr. author),
Université Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France.
- [Jacob R. Gissinger](https://www.stevens.edu/profile/jgissing),
Stevens Institute of Technology, Hoboken, NJ 07030, USA.
- [Axel Kohlmeyer](https://sites.google.com/site/akohlmey),
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.