Our current implementation selects the maximum of all the component potential cutoffs (and then would use that for all components once we transistion to the new neighbor list interface). This seems to be a decent decision for combinations of similar potentials, but we might need to rethink this if we implement distance-based-switching mixed potentials in the future (as was suggested in #14).
|
get_rcutoff(mp::LinearCombinationPotential) = maximum(get_rcutoff, mp.potentials) |
Our current implementation selects the maximum of all the component potential cutoffs (and then would use that for all components once we transistion to the new neighbor list interface). This seems to be a decent decision for combinations of similar potentials, but we might need to rethink this if we implement distance-based-switching mixed potentials in the future (as was suggested in #14).
InteratomicPotentials.jl/src/mixed/linear_combination_potential.jl
Line 18 in e57cd5b