Prerequisites

Mandatory:

• A decent version of python (>=3.6)
• A decent version of numpy

Optional:

• A F90 compiler (gfortran preferred)
• A program to plot time series and to visualize molecular structures (e.g. gnuplot and VMD)
• Other codes which are compatible with i-PI (Quantum Espresso, CP2K, LAMMPS, etc.).

How to install and run i-PI

If you are interested in using i-PI, we refer to the instructions contained in the README file of the official repository, available through this link. Those instructions are kept up to date! Note that being written completely in Python, i-PI does not require a real installation.