Chaithanya Kondur's repositories
graphlammps
A python based library for pre and post processing of files for LAMMPS simulations of gas-surface interactions.
lammps-chai
The "29 Sep 2021 - Update 3" repo was cloned and the reaxFF-CHON-2019 potential has been incorporated in this repo, since the force field is not available in LAMMPS and its implementation required some changes to the energy and force descriptions.
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