Provides the third workflow component: WorkGraph, to design flexible node-based workflows using AiiDA.
In AiiDA, there are two workflow components: workfunction and WorkChain. Workfunction is easy to implement but it does not support automatic checkpointing, which is important for long-running calculations. Workchain supports automatic checkpointing but it is difficult to implement and also not as flexible as the workfunction. AiiDA-WorkGraph provides the third component: WorkGraph. It is easy to implement and supports automatic checkpointing. It is also flexible and can be used to design complex workflows. Check this blog post for more details.
Visit the Workgraph Collections repository to see demonstrations of how to utilize AiiDA Workgraph for different computational codes.
.. toctree:: :maxdepth: 1 :caption: Contents: quick_start installation zero_to_hero tutorial/index howto/index built-in/index blog/index concept/index development/index faqs