MD in NVE and NVT ensembles; implementing different thermostats

Tutorial 3

The problem sheet

You can get the problem sheet here (29 KB). Solutions have to be handed in as a single PDF or on paper until 9th of December.

Notice: Please use the following command in order to compile the code for the second system (Lennard-Jones Liquid): gcc -o lan_thermo lan_thermo.c -lm -lgsl -lgslcblas

The corresponding code

This tutorial aims to provide knowledge about Molecular Dynamics simulations in NVE and NVT ensembles. Here we consider two different systems and using three different thermostats we try to provide a constant temperature or a NVT ensemble. The source codes are available for download here (570 KB).

In a case of any problem please send an email to f.tabatabaei@icp.uni-stuttgart.de