README.md

GraphLAMMPS: Graphite LAMMPS

This is a python library to create the necessary input files for running Molecular Dynamics simulations of graphitic systems using the LAMMPS package. This library also includes post-processing utilities.

How to Start

GraphLAMMPS is compatible with Python 3.7+

$ source install.sh

Package is not yet uploaded to Pypi.

Documentation will be available soon!

Citation

We ask that any publications which use GraphLAMMPS cite as following:

@misc{ckondur2022GraphLAMMPS,
  title={GraphLAMMPS: Tool for LAMMPS simulations of Graphite Interacting with Gasseous Atoms},
  author={Chaithanya Kondur},
  journal={https://github.com/chaithanyak4796/graphlammps},
  year={2022},
  publisher={GitHub}
}

List of publications and submissions

Upcomming!

Senior Developers ✨

Names arranged alphabetically

• Chaithanya Kondur