Difference between revisions of "Simulation Techniques for Soft Matter Sciences (SS 2007)/ESPResSo"

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= Tutorial title =
+
This tutorial aims to introduce Espresso package in a practical manner by using Lennard-Jones
 +
Liquid system. Minimal set of computational skills assumed. Short TCL tutorial section can be
 +
skipped for those who has basic TCL knowledge. During tutorial students expect to finish
 +
given tasks.
  
== Overview ==
+
= Content =
This tutorial covers
 
  
* Introduction to TCL
+
==Introduction==
* Introduction to Espresso
 
* Setting up a LJ-System
 
* Calculating some observables
 
* Comparison to self-written LJ-Code
 
  
== Content ==
+
What is ESPResSo? Why it was developed?
  
=== Something ===
+
==Short TCL Tutorial ==
  
In this part of the tutorial you have to do something ...
+
The most basic TCL tasks that is commonly needed in ESPResSo
 +
scripts reviewed. ESPResSo command line interface (CLI) exercises
 +
are given.
  
=== Something else ===
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== Basics of ESPResSo ==
  
Now, do something else ..
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Introducing how to set up a simulation system. Generation and a
 +
analysis of a simulation data. Lennard-Jones Liquid system
 +
has been used as a model.
  
 
== Resources ==
 
== Resources ==
  
Here you can download everything and don't have to work anymore ....
+
* {{Download|T7w.pdf|Worksheet for the 7th tutorial}}
 +
* {{Download|T7c.tar.gz|Source code for the 7th tutorial|tar}}

Latest revision as of 13:09, 22 June 2007

This tutorial aims to introduce Espresso package in a practical manner by using Lennard-Jones Liquid system. Minimal set of computational skills assumed. Short TCL tutorial section can be skipped for those who has basic TCL knowledge. During tutorial students expect to finish given tasks.

Content

Introduction

What is ESPResSo? Why it was developed?

Short TCL Tutorial

The most basic TCL tasks that is commonly needed in ESPResSo scripts reviewed. ESPResSo command line interface (CLI) exercises are given.

Basics of ESPResSo

Introducing how to set up a simulation system. Generation and a analysis of a simulation data. Lennard-Jones Liquid system has been used as a model.

Resources