https://github.com/simongravelle/lammps-input-files

LAMMPS inputs and data files
https://github.com/simongravelle/lammps-input-files

all-atoms atomic graphene inputs ions lammps lammps-input molecular molecular-dynamics octave polymer python scripts simulation soft-matter water

Last synced: 4 days ago
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LAMMPS inputs and data files

• Host: GitHub
• URL: https://github.com/simongravelle/lammps-input-files
• Owner: simongravelle
• License: gpl-3.0
• Created: 2020-11-21T13:06:31.000Z (about 4 years ago)
• Default Branch: main
• Last Pushed: 2024-10-09T21:10:22.000Z (4 months ago)
• Last Synced: 2025-01-13T03:03:45.827Z (11 days ago)
• Topics: all-atoms, atomic, graphene, inputs, ions, lammps, lammps-input, molecular, molecular-dynamics, octave, polymer, python, scripts, simulation, soft-matter, water
• Homepage: https://lammpstutorials.github.io/
• Size: 131 MB
• Stars: 240
• Watchers: 6
• Forks: 99
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
[![DOI](https://zenodo.org/badge/314814105.svg)](https://zenodo.org/doi/10.5281/zenodo.13340907)

[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)

# LAMMPS input files

This folder contains input files for the [LAMMPS](https://www.lammps.org/)

molecular simulation code. If you are new to LAMMPS, you can find tutorials 

for beginners on [lammpstutorials.github.io](https://lammpstutorials.github.io/).

For most folders, there is a corresponding video

on [youtube](https://www.youtube.com/channel/UCLmK_9wpyLVpcP7BPgN6BIw). 

## How to cite

You can refer to the inputs in this directory using this

DOI: [10.5281/zenodo.13340908](https://zenodo.org/doi/10.5281/zenodo.13340907).

## Overview



    

        

    

    

        

    

    

        

    

    

        

    



## List of inputs

* [2D Lennard-Jones fluids](inputs/2D-lennard-jones-fluid/)

* [3D Lennard-Jones fluids](inputs/3D-lennard-jones-fluid/)

* [Generation of amorphous carbon structure using the liquid quench method](inputs/amorphous-carbon/)

* [Silicalite SiO2 MFI structure](inputs/bulk-silicalite/)

* [Melting a cube of gold metal](inputs/melting-gold/)

* [Reactivity of ion hydronium](inputs/illustration-ion-hydronium/)

* [Graphene oxide nanoparticle in interaction with water](inputs/GO-nanoparticle/)

* [NaCl ions in water](inputs/nacl-solution/)

* [NaCl crystal dissolution in water](inputs/salt-dissolution-water/)

* [Solid NaCl under compression](inputs/solid-NaCl-under-compression/)

* [Adsorption combined with diffusion create pink noise in nanopore](inputs/reversibly-adsorbing-particles/)

* [Water-ethanol-Na-Cl mixture](inputs/water-ethanol/)

* [Simulating an oil-water-vapor interface](inputs/water-toluene-interface/)

* [Measure the surface tension of water](inputs/water-vapour/)

* [Liquid mixture of PEG, water, and ethanol](inputs/liquid-mixture-PEG-water-ethanol/)

* [Water-co2 mixture in graphene slit](inputs/water-co2-in-graphene-slit/)

* [Water in graphene slit](inputs/water-in-graphene-slit/)

## Find more LAMMPS inputs

More input files are shared in the:

- [Inputs](https://github.com/lammpstutorials/lammpstutorials-inputs) repository of [lammpstutorials.github.io](https://lammpstutorials.github.io/),

- [Files](https://github.com/lammpstutorials/lammpstutorials-article/tree/main/files) repository of the lammpstutorials' [article](https://lammpstutorials.github.io/),

- [Repository](https://github.com/simongravelle/publication-data) associated with my publications,

- [Example folder](https://github.com/lammps/lammps/tree/develop/examples) of LAMMPS.

## Contact 

Feel free to contact me by [email](https://simongravelle.github.io/) if you have questions or requests.

## Acknowledgments ##

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.