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  1. LAMMPS LAMMPS Public

    Full upload of my lammps scripts and output. nothing is cleaned up or commented well sorry.

    Shell

  2. NEB NEB Public

  3. Chem-Reax Chem-Reax Public

    C++

  4. Three-barrier-model Three-barrier-model Public

    closed form from SolDeg 2022

    Python

  5. Hydrogen-Motion Hydrogen-Motion Public

    Python code to read LAMMPS output, determine atomic configuration, and move individual atoms

    Python

  6. AtomicViz AtomicViz Public

    OOPS

    C++