A wrapper to use GRACE MLIP as a substitute for VASP/DFT backend to do various solid state systems advance analysis
vaspmonte-carlo-simulationthermalsuperconductivityhoppingaseactivelearningcondensed-matter-physicsdislocationsmlipgrace-tensorpotentialmace-torchscrewdislocationdislocation-dipoletopologicalinsulatorberryphase
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Updated
May 9, 2026 - Python