Documentation

Online Documentation

Quickstart

New users should follow these steps to get ESPResSo running:

  1. Check the installation requirements for your operating system
  2. Download ESPResSo
  3. Build ESPResSo
  4. Run your script with ./pypresso <SCRIPT>

Tutorials

A number of tutorials are available as iPython notebooks, also included in the distribution package under  doc/tutorials/. Here you find online guides and the accompanying python scripts converted from the iPython notebooks:

  • Simulate a simple Lennard-Jones liquid 
    Modelling of a single-component and a two-component Lennard-Jones liquid.
    Guide
  • Charged systems
    Modelling of charged systems such as ionic crystals.
    Guide Part 1
    Guide Part 2
  • Lattice Boltzmann
    Simulations including hydrodynamic interactions using the Lattice-Boltzmann method.
    Guide Part 1
    Guide Part 2
    Guide Part 3
    Guide Part 4
  • Raspberry electrophoresis
    Extended objects in a Lattice-Boltzmann fluid, raspberry particles.
    Guide
  • Visualization
    Using the online visualizers of ESPResSo
    Guide
  • Ferrofluid
    Modelling of a monolayer ferrofluid system.
    Guide Part 1
    Guide Part 2
    Guide Part 3

More tutorials on ESPResSo are available as PDF files:

  • Active matter
    Modelling of self-propelling particles.
    Guide | Exercices | Solutions
  • Electrokinetics
    Modelling electrokinetics together with hydrodynamic interactions.
    Guide | Scripts
  • Reaction ensemble
    Modelling chemical reactions by means of the reaction ensemble
    Reaction ensemble | Scripts

All tutorials on ESPResSo can also be found in doc/tutorials/ in the source code and distribution packages or online on github.

Further documentation