Difference between revisions of "Simulation Techniques for Soft Matter Sciences (SS 2007)/Ewald summation"
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dipolar contribution, and how to use the P3M with Espresso. | dipolar contribution, and how to use the P3M with Espresso. | ||
| − | == Resources == | + | == Resources == |
| − | + | * {{Download|t8w.pdf| Tutorial.}} | |
| + | * {{Download|sources.tgz|C files to do the tutorial.|tar}} | ||
Revision as of 22:43, 20 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
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)