Difference between revisions of "Simulation Techniques for Soft Matter Sciences (SS 2007)/Ewald summation"
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* Short introduction to the use of P3M in Espresso | * Short introduction to the use of P3M in Espresso | ||
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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. | 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. | ||
Revision as of 13:43, 21 June 2007
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
Contents
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. (file does not exist!)