Handle wrapping correctly for default neighborlist #436
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CompRhys
reviewed
Jan 31, 2026
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| self.setup_from_system_idx(sim_state.atomic_numbers, sim_state.system_idx) | ||
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| # Wrap positions into the unit cell |
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what about the alternative of moving thing inside the nl function?
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Wraps positions inside classical iteraction models and MACE to address #423