Command line tools in ASE

ASE has the following command line tools:

  • ase-gui: graphical user interface
  • ase-db: manipulation of databases
  • ase-build: build simple molecule or bulk structure
  • ase-run: run calculations with ASE’s calculators
  • ase-info

Help

For all command-line tools, you can do:

ase-xxx --help

or ase-xxx -h to get help.

Bash completion

You can enable bash completion by adding this line to your ~/.bashrc:

complete -o default -C _ase_bash_complete.py ase-db ase-run ase-build ase-info ase-gui