ASE

Software description

The Atomic Simulation Environment (ASE) is a set of tools and Python modules for setting up, manipulating, running, visualizing and analyzing atomistic simulations. The code is freely available under the GNU LGPL license.

Homepage: wiki.fysik.dtu.dk/ase/

NSC documentation

Available Modules


3.23.0-hpc1-python

Load with:

[user@system ~]$ module load ASE/3.23.0-hpc1-python

3.22.1-hpc1-python

Load with:

[user@system ~]$ module load ASE/3.22.1-hpc1-python