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  1. contact-angle contact-angle Public

    Matlab codes to calculate solid-liquid contact angle from Molecular Dynamics simulations

    MATLAB 12 5

  2. LAMMPS-utils LAMMPS-utils Public

    Codes to modify, improve, and analyze LAMMPS input and output files.

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  3. millerite millerite Public

    Deer Neural Network for Millerite surface energy calculation

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  4. certificates certificates Public

  5. vasp_gpu_port vasp_gpu_port Public

  6. temp temp Public

    temporary simulation files