1 About

2 User Guide (Next)

Simpatico is a library of C++ classes and programs for molecular dynamics (MD), Monte Carlo (MC) and hybrid MC simulations of molecular and polymer liquids. It has thus far been used to simulate coarse-grained models of polymer liquids, but is suitable for a much wider range of problems. It contains the following main programs:

• A program for parallel domain-decomposition MD simulations, named ddSim.
• Programs for MC and MD simulations on a single processor, named mcSim and mdSim.

The single-processor mcSim and mdSim programs can also be compiled with MPI to execute embarassingly parallel multi-processor algorithms, such as replica-exchange, in which each processor simulates a different system.

Contents:

• 1.1 Goals
• 1.2 Capabilities
• 1.3 Contributors

Simpatico is free, open source software. It is distributed under the terms of the GNU General Public License as (GPL) published by the Free Software Foundation, either version 3 of the License or (at your option) any later version. Simpatico is distributed without any warranty, without even the implied warranty of merchantability or fitness for a particular purpose. See the LICENSE file or the gnu web page for details.

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