Documentation

Online Documentation

• For ESPResSo 4.1.4
• For ESPResSo devel

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

The tutorials are available as Jupyter notebooks:

• Introductory tutorials
  • Simulate a simple Lennard-Jones liquid 
    Modelling of a single-component and a two-component Lennard-Jones liquid.
    Guide
  • Visualization
    Using the online visualizers of ESPResSo
    Guide
• Intermediate tutorials
  • Charged systems
    Modelling of ion condensation around a charged rod.
    Guide
  • Ferrofluid
    Modelling of a monolayer ferrofluid system.
    Guide Part 1
    Guide Part 2
    Guide Part 3
  • 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
• Advanced tutorials
  • Active matter
    Modelling of self-propelling particles.
    Guide | Exercises | Solutions
  • Electrokinetics
    Modelling electrokinetics together with hydrodynamic interactions.
    Guide
  • Constant pH method
    Modelling an acid dissociation curve using the constant pH method.
    Guide

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

Further documentation

• You can search the archive of the User’s Mailing List.
• For developers, there is the Doxygen documentation and the Developer’s Guide.
• The User’s Guide (UG) for ESPResSo 3.3.1 with TCL
• The User’s Guide (UG) for ESPResSo 4.0.2 with Python2/3
• There are the presentations from the yearly ESPResSo Summer Schools at ICP in Stuttgart
  • Course material from the 6th SimTech-SFB716-CECAM-summer school “Simulating Soft and Active Matter with ESPResSo, ESPResSo++ and VOTCA” (October 5 – 9, 2015)
  • Course material from the 4th ESPResSo Summer School “Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA” (Oct 7-11 2013)
  • Course material from the 3rd ESPResSo Summer School “Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA” (Oct 8-12 2012)
  • Presentations from the 2nd tutorial workshop  “Coarse-grained Simulation of Biological Soft Matter Systems using ESPResSo” (Oct 11-14 2011)
  • Presentations from the 1st tutorial workshop  “Simulating Soft Matter with ESPResSo” (Oct 10-15 2010)