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Workflow Core

Purpose: Core workflow hierarchy and shared method/results structures

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classDiagram
    class ParallelWorkflow
    class SerialWorkflow
    class SerialWorkflowResults
    class SimulationTask
    class SimulationTaskReference
    class SimulationWorkflow
    class SimulationWorkflowMethod
    class SimulationWorkflowModel
    class SimulationWorkflowResults
    class WorkflowConvergenceResults
    class WorkflowConvergenceTarget
    class WorkflowTime
    SimulationWorkflow <|-- ParallelWorkflow
    SimulationWorkflow <|-- SerialWorkflow
    SimulationWorkflowResults <|-- SerialWorkflowResults
    SimulationTask <|-- SimulationTaskReference
    SimulationTask <|-- SimulationWorkflow
    SimulationWorkflowModel <|-- SimulationWorkflowMethod
    WorkflowTime <|-- SimulationWorkflowResults
    SimulationWorkflow *-- SimulationWorkflowMethod : method
    SimulationWorkflow *-- SimulationWorkflowResults : results
    SimulationWorkflowModel *-- WorkflowConvergenceTarget : convergence_targets
    SimulationWorkflowResults *-- WorkflowConvergenceResults : convergence

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inheritance (is-a)
composition (has-a)

Quantities by Key Sections

SimulationTask

Section Description MetaInfo
SimulationTask Open in MetaInfo browser

This section has no direct quantities.

SimulationTaskReference

Section Description MetaInfo
SimulationTaskReference Open in MetaInfo browser

This section has no direct quantities.

SimulationWorkflow

Section Description MetaInfo
SimulationWorkflow Base class for simulation workflows. Open in MetaInfo browser

This section has no direct quantities.

SerialWorkflow

Section Description MetaInfo
SerialWorkflow Base class for workflows where tasks are executed sequentially. Open in MetaInfo browser

This section has no direct quantities.

ParallelWorkflow

Section Description MetaInfo
ParallelWorkflow Base class for workflows where tasks are executed concurrently. Open in MetaInfo browser

This section has no direct quantities.

SimulationWorkflowModel

Section Description MetaInfo
SimulationWorkflowModel Base class for simulation workflow model sub-section definition. Open in MetaInfo browser
Quantity Type Description
initial_system Reference Reference to the input model_system.
initial_method Reference Reference to the input model_method.

SimulationWorkflowMethod

Section Description MetaInfo
SimulationWorkflowMethod Open in MetaInfo browser

This section has no direct quantities.

WorkflowTime

Section Description MetaInfo
WorkflowTime Contains time-related quantities. Open in MetaInfo browser
Quantity Type Description
datetime_end Datetime The date and time when the workflow ended.
cpu1_start m_float64(float64) The starting time of the workflow on the (first) CPU 1.
cpu1_end m_float64(float64) The end time of the workflow on the (first) CPU 1.
wall_start m_float64(float64) The internal wall-clock time from the starting of the workflow.
wall_end m_float64(float64) The internal wall-clock time from the end of the workflow.

SimulationWorkflowResults

Section Description MetaInfo
SimulationWorkflowResults Base class for simulation workflow results sub-section definition. Open in MetaInfo browser
Quantity Type Description
finished_normally m_bool(bool) Indicates if calculation terminated normally.
is_converged m_bool(bool) Represents if the convergence targets have been reached (True) or not (False).

SerialWorkflowResults

Section Description MetaInfo
SerialWorkflowResults Open in MetaInfo browser

This section has no direct quantities.

WorkflowConvergenceTarget

Section Description MetaInfo
WorkflowConvergenceTarget Base section for defining convergence targets. Open in MetaInfo browser
Quantity Type Description
threshold m_float_bounded(float)
Convergence threshold.Convergence threshold. Must be non-negative.
When threshold_type is 'relative', must be dimensionless.
When threshold_type is 'absolute', 'maximum', or 'rms', must have physical units.
Child classes override this to add convergence path annotations.
threshold_type Enum
Specifies the mathematical method used to evaluate convergence between successive iterations.Specifies the mathematical method used to evaluate convergence between successive iterations. Supported methods include:
| Name | Description |
| --------- | -------------------------------- |
| 'absolute' | Difference in absolute terms between two subsequent iterations (e.g., \

WorkflowConvergenceResults

Section Description MetaInfo
WorkflowConvergenceResults Results of workflow convergence checks. Open in MetaInfo browser
Quantity Type Description
convergence_target_ref Reference Reference to the workflow convergence target that this result corresponds to.
is_reached m_bool(bool) Indicates whether this convergence target was reached (True) or not (False).