Software Developement

 

Here are some programs developed by the group and that are freely available.

  • LMVVWGH: a program to calculate the structure and thermodynamics of simple fluids (Lennard-Jones as currently programmed) in the Reference Hypernetted Chain Approximation. Click here to download the source code.
  • HNCR: a program to calculate the structure and thermodynamics of Primitive Model electrolytes in the Hypernetted Chain approximation. Click here to download the source code.

 

Note: The following codes  below can be run as stand-alone apps on request from the authors. The Java applets however have been now disabled in most web browsers (they seem to work on Mozilla Firefox) ....

 

DiMol2D: Molecular Dynamics Visualization


This is one of our main projects aimed at illustrating phase transitions, and other phenomena at a microscopic level by means of Molecular Dynamics for educational purposes. The program is available from the authors upon request. This program performs an MD run with 2D particles interacting via tunable soft potentials (from repulsive WCA to LJ) for symmetric binary and ternary mixtures, with and without walls and gravity. Click on the picture to view an online demo with a Java applet. The visualization and interface code in the original stand alone application is programmed in Java and the Molecular Dynamics in Fortran 90 interfaced using Java Native Interface. It is a standalone application tested both on Linux, Windows and Mac OS/X platforms. Porting to other platforms for which Java is available should be straightforward. Click here to view a detailed description of the program or here to download the PDF documentation.

 

Ising/Potts lattice Monte Carlo simulations

 

This applet illustrates the Monte Carlo method with Glauber dynamics or Swendsen-Wang cluster algorithms for an Ising and a 3-state Potts spin system. One can visualize the difference between cluster and single particle update algorithms. The temperature is scaled with the critical temperature.