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generalised README creator
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‎COMMENT.md‎

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WARNING: DO NOT MODIFY DIRECTLY THE README.md!
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This README.md file was assembled using the sed command from the files listed in
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"files.txt". See the script in "generateREADME.sh". To modify the content of
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the README.md, modify the files listed in
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"files.txt", or add a new file to the list in "files.txt".
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the README.md, modify the files listed in "files.txt", or add a new file to the
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list in "files.txt".
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-->

‎DESCRIPTION.md‎

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# LAMMPS tutorials' special repository
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The content of the profile/README.md appears on the GitHub profile of the
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[LAMMPS tutorials organization](https://github.com/lammpstutorials).
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The content of the profile/README.md appears on the GitHub
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[profile](https://github.com/lammpstutorials) of the LAMMPS tutorials organization.
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This repository also contains the list of [authors](AUTHORS.md) from the
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LAMMPS tutorials initiative, as well as a list of [Acknowledgements](ACKNOWLEDGEMENTS.md).

‎profile/DESCRIPTION.md‎

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# LAMMPS tutorials ![GitHub Org's stars](https://img.shields.io/github/stars/lammpstutorials?style=for-the-badge)
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Material and guides for LAMMPS beginner. The main website can be accessed
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[from this page](https://lammpstutorials.github.io/). The LAMMPS inputs are
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provided in [a dedicated repository](https://github.com/lammpstutorials/lammpstutorials-inputs),
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together with the data files, scripts, and parameter files. The functions used for
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the Matplotlib graphs are available [here](https://github.com/simongravelle/pyplot-perso).
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<p float="left">
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<a href="https://lammpstutorials.github.io/sphinx/build/html/tutorials/level1/lennard-jones-fluid.html">
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<img src="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials.github.io/2Aug2023/docs/avatars/level1/lennard-jones-fluid/avatar-Lennard-Jones-LAMMPS.png" width="32%" />
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</a>
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<a href="https://lammpstutorials.github.io/sphinx/build/html/tutorials/level1/breaking-a-carbon-nanotube.html">
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<img src="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials.github.io/2Aug2023/docs/avatars/level1/breaking-a-carbon-nanotube/CNT.png" width="32%" />
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</a>
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<a href="https://lammpstutorials.github.io/sphinx/build/html/tutorials/level3/water-adsorption-in-silica.html">
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<img src="https://raw.githubusercontent.com/lammpstutorials/lammpstutorials.github.io/2Aug2023/docs/avatars/level3/water-adsorption-in-silica/water-adsorption.png" width="32%" />
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</a>
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</p>
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Figure: Lennard-Jones fluid mixture from tutorial 1 (left), Carbon nanotube from
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tutorial 2 (middle), and water molecules in a cracked silica from tutorial 6 (right).
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## The article
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An article is in preparation, it can be found [here](https://github.com/lammpstutorials/lammpstutorials-article).

‎profile/README.md‎

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<!--
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WARNING: DO NOT MODIFY DIRECTLY THE README.md!
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This README.md file was assembled using the sed command from the files listed in
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"files.txt". See the script in "generateREADME.sh". To modify the content of
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the README.md, modify the files listed in "files.txt", or add a new file to the
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list in "files.txt".
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-->
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# LAMMPS tutorials ![GitHub Org's stars](https://img.shields.io/github/stars/lammpstutorials?style=for-the-badge)
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Material and guides for beginner LAMMPS users.
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The main website can be accessed [from this page](https://lammpstutorials.github.io/),
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and the functions used for the Matplotlib graphs are available [here](https://github.com/simongravelle/pyplot-perso).
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Material and guides for LAMMPS beginner. The main website can be accessed
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[from this page](https://lammpstutorials.github.io/). The LAMMPS inputs are
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provided in [a dedicated repository](https://github.com/lammpstutorials/lammpstutorials-inputs),
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together with the data files, scripts, and parameter files. The functions used for
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the Matplotlib graphs are available [here](https://github.com/simongravelle/pyplot-perso).
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<p float="left">
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<a href="https://lammpstutorials.github.io/sphinx/build/html/tutorials/level1/lennard-jones-fluid.html">
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</a>
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</p>
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Figure: (left) Lennard-Jones fluid mixture (middle) Carbon nanotube (right) Water molecules in a cracked silica
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## Find all the inputs
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The LAMMPS inputs are provided in [a dedicated repository](https://github.com/lammpstutorials/lammpstutorials-inputs),
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together with the data files, scripts, and parameter files.
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Figure: Lennard-Jones fluid mixture from tutorial 1 (left), Carbon nanotube from
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tutorial 2 (middle), and water molecules in a cracked silica from tutorial 6 (right).
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## The article
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An article is in preparation, it can be found [here](https://github.com/lammpstutorials/lammpstutorials-article).
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## People involved
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## Authors
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### Project creator
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- [Simon Gravelle](https://github.com/simongravelle), LiPhy, UGA, CNRS, France.
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- [Simon Gravelle](https://github.com/simongravelle),
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Univ. Grenoble Alpes, CNRS, LIPhy, 38000 Grenoble, France
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### Contributors
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- Jacob R. Gissinger, Stevens Institute of Technology, Hoboken, NJ 07030, USA.
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- Axel Kohlmeyer, Institute for Computational Molecular Science, Temple University, Philadelphia, PA 19122, USA.
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- [Jacob R. Gissinger](https://www.stevens.edu/profile/jgissing),
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Stevens Institute of Technology, Hoboken, NJ 07030, USA
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- [Axel Kohlmeyer](https://sites.google.com/site/akohlmey),
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Institute for Computational Molecular Science, Temple University, Philadelphia,
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PA 19122, USA
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## Acknowledgements
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- Simon Gravelle acknowledges funding from the European Union's Horizon 2020
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research and innovation programme under the Marie Skłodowska-Curie grant
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agreement No 101065060$.
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- Axel Kohlmeyer acknowledges financial support by Sandia National Laboratories
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under POs 2149742 and 2407526.
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‎profile/files.txt‎

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../COMMENT.md
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DESCRIPTION.md
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../AUTHORS.md
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../ACKNOWLEDGEMENTS.md

‎profile/generateREADME.sh‎

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#!/bin/bash
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output_file="README.md"
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> "$output_file"
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files=()
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while IFS= read -r line
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do
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files+=("$line")
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done < "files.txt"
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input_files="${files[@]}"
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# Loop through each file and append its content to the output file
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for file in "${files[@]}"
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do
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# Check if file exists before attempting to read it
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if [ -f "$file" ]
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then
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# Append file content to the output file
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cat "$file" >> "$output_file"
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# Append blank line
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echo -e "\n" >> "$output_file"
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else
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echo "WARNING: File '$file' does not exist."
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fi
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done

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