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Even if init_guess_too_large=True and you rescale the lattice, there's no reason why you can't still encounter instability, so this check must still be performed." 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This was a problem for the TIDP_* toy models, which have shorter-than-usual cutoffs since they're actually unitless.\r\n\r\n- In the event that a LAMMPS-based Simulator Model is being run against and a neighbor list overflow is encountered when computing the energy at the first initial guess (2.5 Angstroms) due to a long potential cutoff, a `neigh_modify one 5000` command is now given to the calculator to request additional memory be allocated." 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