English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Standard Ewald sums, which calculate e.g. the electrostatic energy or theforce in periodically closed systems of charged particles, can be efficientlyspeeded up by the use of the Fast Fourier Transformation (FFT). In this articlewe investigate three algorithms for the FFT-accelerated Ewald sum, whichattracted a widespread attention, namely, the so-calledparticle-particle-particle-mesh (P3M), particle mesh Ewald (PME) and smooth PMEmethod. We present a unified view of the underlying techniques and the variousingredients which comprise those routines. Additionally, we offer detailedaccuracy measurements, which shed some light on the influence of several tuningparameters and also show that the existing methods -- although similar inspirit -- exhibit remarkable differences in accuracy. We propose combinationsof the individual components, mostly relying on the P3M approach, which weregard as most flexible.Comment: 18 pages, 8 figures included, revtex styl

How to mesh up Ewald sums. I. A theoretical and numerical comparison of various particle mesh routines