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This project forked from cgchemlab/espressopp

0.0 1.0 0.0 184.22 MB

Modified version of ESPResSo++ to support simulation of complex chemical reactions at coarse-grained scale

License: GNU General Public License v3.0

CMake 0.14% Tcl 0.02% Python 6.55% C++ 85.84% Perl 0.01% C 1.43% Shell 0.02% Batchfile 0.03% Fortran 0.02% HTML 4.16% CSS 0.10% JavaScript 0.19% Roff 0.18% TeX 0.01% Dockerfile 0.01% Cython 1.32% SWIG 0.01%

espressopp's Introduction

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).

H5MD writer is build on top of ch5md library developed by Pierre de Buyl and published uder the Revised BSD License.

QUICKINSTALL:

# cd espressopp
# cmake .
# make
# source ESPRC

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

ISSUES:

Report bugs on the github issues site

Build Status Code Climate codecov.io Analysis Status

espressopp's People

Contributors

jkrajniak avatar stuehn avatar junghans avatar brandest avatar niktre avatar acfogarty avatar pdebuyl avatar govarguz avatar jsmrek avatar vitst avatar gdeichmann avatar pgemuende avatar

Watchers

Zidan Zhang avatar

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