A wrapper to use GRACE MLIP as a substitute for VASP/DFT backend to do various solid state systems advance analysis
vasp monte-carlo-simulation thermal superconductivity hopping ase activelearning condensed-matter-physics dislocations mlip grace-tensorpotential mace-torch screwdislocation dislocation-dipole topologicalinsulator berryphase
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Updated
May 9, 2026 - Python