NFFT based Ewald summation for electrostatic systems with charges and dipoles

DOI10.1016/j.apnum.2017.07.008zbMath1376.78002OpenAlexW2742262774MaRDI QIDQ2408509

Michael Pippig, Franziska Nestler, Michael Hofmann

Publication date: 12 October 2017

Published in: Applied Numerical Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.apnum.2017.07.008

zbMATH Keywords

periodic boundary conditionsdipole-dipole interactionsparticle methodsEwald summationnonequispaced fast Fourier transformcharge-dipole interactionscharged particle systemsnonequidistant FFT (NFFT)particle-particle NFFT (P2NFFT)particle-particle particle mesh (P3M)scafacos

Mathematics Subject Classification ID

Related Items (1)

Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P\(^{2}\)NFFT method

Uses Software

• PFFT
• PNFFT
• ScaFaCoS
• NFFT3
• P3M3DP

Cites Work

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