ASE

Overview

ASE is an Atomistic Simulation Environment written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations.

More information is available on ASE web site.

Usage

First you need to decide on the version of the software you want to use. Use

$ module avail ase

to check what versions are available. We normally recommend using the latest version available. For example, to load the 3.20.1 version of ASE use

$ module load ase/3.20.1

For more details on using modules see our modules help guide.

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