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 website.
How to use
First you need to decide on the version of the software you want to use, run the command
$ 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 software applications guide.
This software is an experimental installation. Not all features may be available and not all features may work.
Authors: Yue Sun, Andrey Bliznyuk, Mohsin Ali
Overview
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