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QMcBeaver is an object-oriented program to perform Quantum Monte Carlo calculations on atoms and molecules. It is designed to be easy to modify, allowing new ideas to be quickly implemented.
BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
MANIKK is a toolkit for generating numerical interaction parameters -- describing the interaction between metallic atoms in a coherent lattice -- and for performing numerical Monte Carlo-simulations of physical properties of alloy systems.
An object-oriented partial differential equation (PDE) solver, written in Python, based on a standard finite volume approach and includes interface tracking algorithms. *WARNING* The project is no longer using Sourceforge to maintain its repository.
The X-Ray Data Processing package enables ad hoc wrangling of data from x-ray experiments. A collection of software based on this library is also available.