Comparable projects

From espressopp

This page lists comparable projects to ESPResSo++.

Contents 1 Coarse-grained models 1.1 MDynaMix 1.2 OOPSE 1.3 LAMMPS 1.4 DL_POLY 2 Comparable software design 2.1 MMTK

Coarse-grained models

MDynaMix

• URL: http://www.fos.su.se/~sasha/mdynamix/

OOPSE

• URL: http://www.oopse.org/

LAMMPS

• URL: http://lammps.sandia.gov/

DL_POLY

• URL: http://www.cse.scitech.ac.uk/ccg/software/DL_POLY/

Comparable software design

MMTK

• URL: http://dirac.cnrs-orleans.fr/MMTK/

From the home page: The Molecular Modelling Toolkit (MMTK) is an Open Source program library for molecular simulation applications. In addition to providing ready-to-use implementations of standard algorithms, MMTK serves as a code basis that can be easily extended and modified to deal with standard and non-standard problems in molecular simulations.

MMTK is developed in and around Python, a high-level object-oriented general-purpose programming language. In fact, MMTK consists of nothing more than a collection of Python modules, most of which written in Python itself, with only a small time-critical part (e.g. energy evaluation) written in C. MMTK applications are Python programs that make use of these modules. Python was chosen because it allows rapid code development and testing, while providing a very convenient C interface for dealing with time-critical calculations.

MMTK has a very comparable approach to ESPResSo++:

• It uses Python as the frontend.
• It implements the time-critical parts in C.
• It is intended as a research platform.