Command line interface¶
- Introduction
- Concepts
- Commands
verdi codeverdi commentverdi computerverdi configverdi daemonverdi dataverdi develverdi exportverdi graphverdi groupverdi helpverdi importverdi installverdi nodeverdi processverdi profileverdi quicksetupverdi rehashverdi restapiverdi runverdi setupverdi shellverdi statusverdi 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.