NCI Help

Page tree

Versions Compared

Old Version 6

changes.mady.by.user Andrew Johnston

Saved on

compared with

New Version Current

changes.mady.by.user Andrew Johnston

Saved on

Key

  • This line was added.
  • This line was removed.
  • Formatting was changed.
Panel
borderColor#21618C
bgColor#F6F7F7
titleColor#17202A
borderWidth1
titleBGColor#FFB96A
borderStyleridge
titleOverview

ASE is an Atomistic Simulation Environment written in the Python programming language with the aim of setting up, steering, and analyzing atomistic simulations.

More information is available on ASE web sitewebsite.

How to use

First you need to decide on the version of the software you want to use, run the command

Code Block
themeFadeToGrey
 $ module avail ase

to check what versions are available. We normally recommend using the latest version available. For example, to load the 3.20.1 version of ASE use

Code Block
themeFadeToGrey
$ module load ase/3.20.1

For more details on using modules see our software applications guide.

Warning
This software is an experimental installation. Not all features may be available and not all features may work.


Authors: Yue Sun, Andrey Bliznyuk, Mohsin Ali