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implement SimState.wrap_positions using pbc_wrap_batched #1650

implement SimState.wrap_positions using pbc_wrap_batched

implement SimState.wrap_positions using pbc_wrap_batched #1650

test-examples (examples/scripts/3_Dynamics/3.12_MACE_NPT_Langevin.py)

succeeded Nov 18, 2025 in 1m 26s