Hi Andreas, other candidates in this category are, IMHO,
| QUANTUMESPRESSO | http://www.quantum-espresso.org/ Integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials (both norm-conserving and ultrasoft). PWscf http://www.pwscf.org/ Computer code for electronic-structure calculations within Density-Functional Theory and Density-Functional Perturbation Theory, using pseudopotentials and a plane-wave basis set. CP2K http://cp2k.berlios.de/ Perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. As it happens I'm working at SCAI, but not in the mentioned project. The compute kernel of ESPResSo++ shall be developed at MPI for Polymer Research. -- Regards, Jörg-Volker. Andreas Tille wrote: > Hi, > > thanks to a hint from Helge Kreutzmann I had a look at ESPResSo++ > > http://espresso.scai.fraunhofer.de/ > > Extensible Simulation Package for Research on Soft matter > > ESPResSo 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, with emphasis on > charged systems. > > Helge told me that there are plans to release this as Free Software > which is currently not announced on their web page. It might be a > good idea if somebody would keep an eye on this to make sure we > will be able to support the process by high quality Debian packages. > > Kind regards > > Andreas. > -- To UNSUBSCRIBE, email to [email protected] with a subject of "unsubscribe". Trouble? Contact [email protected]
