Fast Ewald summation for electrostatic systems with charges and dipoles for various types of periodic boundary conditions

The efficient computation of interactions in charged particle systems is possible based on the well known Ewald summation formulas and the fast Fourier transform for nonequispaced data (NFFT). The resulting method is known as the particle-particle NFFT (P2NFFT) and has recently been generalized in order to consider electrostatic systems containing charges as well as dipole particles. The software is publicly available and supports various types of periodic as well as open boundary conditions. In this paper we give a short introduction to the method and present for the first time numerical results for mixed periodic and open boundary conditions.