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  1. XRD XRD Public archive

    X-ray diffraction calculations

    Jupyter Notebook 7 6

  2. MaterSim/ComputationalPhysics300 MaterSim/ComputationalPhysics300 Public

    computational physics class taught at UNLV (Phys300)

    Jupyter Notebook 115 123

  3. MaterSim/PyXtal MaterSim/PyXtal Public

    A code to generate atomic structure with symmetry

    Python 279 69

  4. MaterSim/vasprun MaterSim/vasprun Public

    quick analysis of vasp calculation

    Python 35 14

  5. MaterSim/PyXtal_FF MaterSim/PyXtal_FF Public

    Machine Learning Interatomic Potential Predictions

    Python 87 23

  6. pyxtal_step pyxtal_step Public

    A plug-in for PyXtal in a SEAMM flowchart

    Python