Simulation Techniques for Soft Matter Sciences (SS 2007)/ESPResSo

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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