Documentation

Online Documentation

• For ESPResSo 4.1.3
• 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 IPython/Jupyter 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
• Active matter
  Modelling of self-propelling particles.
  Guide | Exercises | Solutions
• Electrokinetics
  Modelling electrokinetics together with hydrodynamic interactions.
  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
• 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 GitHub wiki.
• 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)