ASE
- Axel Keller
Owned by Axel Keller
Description
ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. From version 3.20.1 we also include the ase-ext package, it contains optional reimplementations in C of functions in ASE. ASE uses it automatically when installed.
More information
- Homepage: https://wiki.fysik.dtu.dk/ase
Available Versions of ASE
Version | Module | Available on |
|---|---|---|
3.22.1-foss-2022a | chem/ASE/3.22.1-foss-2022a | Noctua 2 |
3.22.0-foss-2021a | chem/ASE/3.22.0-foss-2021a | Noctua 1 |
This table is generated automatically. If you need other versions please click pc2-support@uni-paderborn.de.
Usage Hints for ASE
If you need support in using this software or example job scripts please click pc2-support@uni-paderborn.de.