Simulation Techniques for Soft Matter Sciences (SS 2007)/Ewald summation

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Overview

This tutorial covers

How to do the direct summation correctly
Comparison to Ewald sum
Parameter choice for Ewald sum
Short introduction to the use of P3M in Espresso

Content

Description

The present tutorial is intended to solidify your knowledge  about long-range

interactions. Several aspects and concepts are reviewed: direct sum, Ewald sum, dipolar contribution, and how to use the P3M with Espresso.

Resources

Tutorial. (115 KB)
C files to do the tutorial. (2.57 MB)

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