Advanced topics

The following sections provide details on advanced use of AiiDA WorkGraph:

• Use context variables in WorkGraphs

  This section introduces the use of the AiiDA context, which allows users to store and retrieve data within the workflow’s execution context, facilitating data management and sharing between tasks.

• Write workflows using the context manager paradigm

  This section discusses the context manager paradigm, which offers explicit zones like If, While, and Map to build a graph that clearly shows the workflow’s structure and dependencies.

• Write workflows using the node-graph programming paradigm

  This section covers node-graph programming, allowing users to build workflows by connecting task inputs and outputs, enabling easy modification and extension.

• Write error-resistant workflows

  This section explains how to create error-resistant workflows that can handle failures gracefully, ensuring robustness and reliability in execution.