ASE 3.22.0-foss-2021a

ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language.

Accessing ASE 3.22.0-foss-2021a

To load the module for ASE 3.22.0-foss-2021a please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load ASE/3.22.0-foss-2021a

BEAR Apps Version



  • ase 3.22.0
  • ase-ext-20.9.0
  • pytest-mock-3.6.1

More Information

For more information visit the ASE website.


This version of ASE has a direct dependency on: Flask/1.1.4-GCCcore-10.3.0 foss/2021a matplotlib/3.4.2-foss-2021a Python/3.9.5-GCCcore-10.3.0 SciPy-bundle/2021.05-foss-2021a spglib-python/1.16.1-foss-2021a Tkinter/3.9.5-GCCcore-10.3.0

Required By

This version of ASE is a direct dependent of: PyTorch-Geometric/2.0.4-foss-2021a-CUDA-11.3.1

Other Versions

These versions of ASE are available on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 23rd May 2022