How to mesh up Ewald sums. II. An accurate error estimate for the particle–particle–particle-mesh algorithm

1998/11/08 by Markus Deserno, Christian Holm · 26 citations
Physics and Astronomy · Decision Sciences · #High-Energy Particle Collisions Research #Probabilistic and Robust Engineering Design #Electromagnetic Scattering and Analysis

paper · doi:10.1063/1.477415

Abstract

We construct an accurate estimate for the root mean square force error of the particle–particle–particle mesh (P3M) algorithm by extending a single particle pair error measure which has been given by Hockney and Eastwood. We also derive an easy to use analytic approximation to the error formula. This allows a straightforward and precise determination of the optimal splitting parameter (as a function of system specifications and P3M parameters) and hence knowledge of the force accuracy prior to the actual simulation. The high quality of the estimate is demonstrated in several examples.

Citations

• Die Berechnung optischer und elektrostatischer Gitterpotentiale
• Accuracy and efficiency of the particle mesh Ewald method

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