Command line interface¶
- Introduction
- Concepts
- Commands
verdi code
verdi comment
verdi computer
verdi config
verdi daemon
verdi data
verdi devel
verdi export
verdi graph
verdi group
verdi help
verdi import
verdi install
verdi node
verdi process
verdi profile
verdi quicksetup
verdi rehash
verdi restapi
verdi run
verdi setup
verdi shell
verdi status
verdi user
- Properties
Scripting¶
While many common functionalities are provided by either command-line tools
(via verdi
) or the web interface, for fine tuning (or automatization)
it is useful to directly access the python objects and call their methods.
This is possible in two ways, either via an interactive shell, or writing and running a script. Both methods are described below.
Calculations¶
Data types¶
Schedulers¶
As described in the section about calculations, CalcJobNode
instances are submitted by the daemon to an external scheduler.
For this functionality to work, AiiDA needs to be able to interact with these schedulers.
Interfaces have been written for some of the most used schedulers.