Online Documentation
Quickstart
New users should follow these steps to get ESPResSo running:
- Check the installation requirements for your operating system
- Download ESPResSo
- Build ESPResSo
- Run your script with ./pypresso <SCRIPT>
Tutorials
A number of tutorials are available as IPython/Jupyter notebooks, also included in the distribution package under doc/tutorials/. Here you find online guides and the accompanying python scripts converted from the 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 - Visualization
Using the online visualizers of ESPResSo
Guide - Electrokinetics
Modelling electrokinetics together with hydrodynamic interactions.
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
More tutorials on ESPResSo are available as PDF files:
- Active matter
Modelling of self-propelling particles.
Guide | Exercices | Solutions - 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
- We have a FAQ list (Frequently Asked Questions) on our wiki.
- You can also search the archive of the User’s Mailing List.
- Or you can have a look at our wiki.
- For developers, there is a Doxygen Documentation.
- 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)
