Efficiently design and manage flexible workflows with AiiDA, featuring an interactive GUI, checkpoints, provenance tracking, and remote execution capabilities.
In principle, a graph_builder task can accept non orm.Data as input. For example, when users use PythonJob, we allow them to pass raw Python data as input, so that they do not need to know orm.Data. However, when the graph_builder task use the output of another task as its input, the input value could be a orm.Data, therefore, the graph_builder task handles both cases.
In principle, a graph_builder task can accept non orm.Data as input. For example, when users use PythonJob, we allow them to pass raw Python data as input, so that they do not need to know orm.Data. However, when the graph_builder task use the output of another task as its input, the input value could be a orm.Data, therefore, the graph_builder task handles both cases.
In the above example, the input atoms could be an
ase.Atoms
oraiida_workgraph.orm.atoms.AtomsData
.