The i-PI distribution contains a number of examples and a simple demonstrative driver code that can be used as the force backend for a number of simple tests, such as para-hydrogen and Lennard-Joens potentials. The documentation also contains a simple tutorial to get started with using i-PI.

i-PI hands-on

In addition to the tutorial available with the i-PI main distribution, you can also try an additional set of guided examples that demonstrate some more advanced features of i-PI. Note that these examples use some features (such as qTIP4P/F water and the Zundel cation potentials in the driver code) that are only available through the development version of i-PI, a snapshot of which is present within the archive.

All this examples can be downloaded with a VirtualBox image containing a complete tutorial on Path Integral Molecular Dynamics explicitly developed for the Path Integral Quantum Mechanics: Theory, Simulation and Application School.

Several code, ready to be used with i-PI, are also installed in the VirtualBox image and supported with many examples. Among the others:

…and more to come…