tbereau / espressopp

Main ESPResSo++ repository

ESPResSo++

ESPResSo++ is an extensible, flexible, fast and parallel simulation software for soft matter research. It is a highly versatile software package for the scientific simulation and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research. ESPResSo and ESPResSo++ have common roots and share parts of the developer/user community. However their development is independent and they are different software packages. ESPResSo++ is free, open-source software published under the GNU General Public License (GPL).

QUICKSTART:

To get a copy of the developer version (most recent version) of ESPResSo++, you can use git or docker. Using docker will give you a binary release (nothing to compile, but performance may not be optimal). If you use git clone or download a tarball, you will have to compile ESPResSo+ yourself, which might lead to better performance.

Using docker:

# docker pull espressopp/espressopp
# docker run -it espressopp/espressopp /bin/bash

Using git:

# git clone https://github.com/espressopp/espressopp.git

Alternatively, you can download a tarball or zip file of previous release versions of ESPResSo++.

QUICKINSTALL:

# cd espressopp
# cmake -DEXTERNAL_BOOST=OFF -DEXTERNAL_MPI4PY=OFF .
# make -j2
# source ESPRC

After building go to the examples directory and have a look at the python scripts.

DOCUMENTATION:

Documentation for the developer version of ESPResSo++ is at:

http://espressopp.github.io

Documentation for release versions from v1.9.4.1 onward is at:

http://espressopp.github.io/vXXX

where XXX is the version number, e.g.:

http://espressopp.github.io/v1.9.4.1

ISSUES:

Report bugs on the github issues site