ASE

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

For more information visit the ASE website.

Available Versions

These versions of ASE are available on Baskerville. These will be retained in accordance with our Applications Support and Retention Policy.