ASE 3.19.1-iomkl-2019b-Python-3.7.4

Deprecated: Use of this version of ASE is deprecated. More information on our Applications Support and Retention Policy.

There is a newer version of ASE

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

Accessing ASE 3.19.1-iomkl-2019b-Python-3.7.4

To load the module for ASE 3.19.1-iomkl-2019b-Python-3.7.4 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load ASE/3.19.1-iomkl-2019b-Python-3.7.4

BEAR Apps Version

2018b

Extensions

  • ase 3.19.1
  • Click 7.0
  • Flask 1.1.2
  • itsdangerous 1.1.0
  • Jinja2 2.11.2
  • MarkupSafe 1.1.1
  • Werkzeug 1.0.1

More Information

For more information visit the ASE website.

Dependencies

This version of ASE has a direct dependency on: iomkl/2019b matplotlib/3.1.1-iomkl-2019b-Python-3.7.4 Python/3.7.4-GCCcore-8.3.0 SciPy-bundle/2019.10-iomkl-2019b-Python-3.7.4 Tkinter/3.7.4-GCCcore-8.3.0

Required By

This version of ASE is a direct dependent of: elastool/7199f7a-iomkl-2019b-Python-3.7.4-VASP-5.4.4

Other Versions

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

Last modified on 5th February 2021