diff --git a/README.md b/README.md index f919e9937..b77afa290 100644 --- a/README.md +++ b/README.md @@ -8,8 +8,8 @@ that apply an algorithm that updates the positions of the nuclei, and of an exte code that acts as a client and computes the electronic energy and forces. This is typically a patched version of an electronic structure code, but a -simple self-contained Fortran driver that implements Lennard-Jones and -Silvera-Goldman potentials is included for test purposes. +simple self-contained Fortran driver that implements several simple interatomic +potentials is included for test purposes. i-PI was originally developed to simulate the quantum mechanical nature of light nuclei by performing path integral molecular dynamics simulations, @@ -20,7 +20,7 @@ strategies, from replica exchange to geometry optimization. Quick Setup and Test -------------------- -To use i-PI with already existing drivers, install and update using Pip: +To use i-PI with an existing driver, install and update using Pip: Last version:: ```bash @@ -46,6 +46,7 @@ instructions. It is assumed that i-PI will be run from a Linux environment, with a recent version of Python, Numpy and gfortran, and that the terminal is initially in the i-pi package directory (the directory containing this file), which you can obtain by cloning the repository + ```bash git clone https://github.com/i-pi/i-pi.git ```