HOW TO MESH UP EWALD SUMS - II - AN ACCURATE ERROR ESTIMATE FOR THE PARTICLE-PARTICLE-PARTICLE-MESH ALGORITHM

We construct an accurate estimate for the root mean square force error of the particle-particle-particle mesh ((PM)-M-3) algorithm by extend ing a single particle pair error measure which has been given by Hockn ey and Eastwood. We also derive an easy to use analytic approximation to the error formula. This allows a straightforward and precise determ ination of the optimal splitting parameter las a function of system sp ecifications and (PM)-M-3 parameters) and hence knowledge of the force accuracy prior to the actual simulation. The high quality of the esti mate is demonstrated in several examples. (C) 1998 American Institute of Physics.