Size-Dependent Cutoff Methods: A Statistical, Dynamic and Structural Comparison

The new MAX and MIX cutoff methods are compared to the traditional cutoff method, in order to study what affects these new methods have on the dynamic and structural results. The traditional cutoff method uses 2.5 times the largest contacted distance in the system to calculate the cutoff radius of all the particles in that system. The new MAX cutoff method uses the larger contacted distance of the pair to calculated cutoff. The MIX cutoff method which uses an arithmetic mean of the contacted distances of the given pair to calculate the cutoff radius. Cases are shown in which these new methods produce the same dynamical and structural results as the traditional cutoff methods. Cases are also shown in which the MIX and MAX cutoff methods do not produce the same dynamical or structural results as the traditional cutoff method.