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Documentation: nomad-simulations

Single-Point Workflow

Single-Point Workflow¶

Purpose: Single-point workflow and its method/results classes

Relationship map¶

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classDiagram
    class SimulationWorkflow
    class SimulationWorkflowMethod
    class SimulationWorkflowResults
    class SinglePoint
    class SinglePointMethod
    class SinglePointResults
    class WorkflowConvergenceResults
    SimulationWorkflow <|-- SinglePoint
    SimulationWorkflowMethod <|-- SinglePointMethod
    SimulationWorkflowResults <|-- SinglePointResults
    SimulationWorkflow *-- SimulationWorkflowMethod : method
    SimulationWorkflow *-- SimulationWorkflowResults : results
    SimulationWorkflowResults *-- WorkflowConvergenceResults : convergence
    SinglePoint *-- SinglePointMethod : method
    SinglePoint *-- SinglePointResults : results

Legend

inheritance (is-a)

composition (has-a)

Quantities by Key Sections¶

`SimulationWorkflow`¶

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

This section has no direct quantities.

`SimulationWorkflowMethod`¶

Section	Description	MetaInfo
`SimulationWorkflowMethod`		Open in MetaInfo browser

This section has no direct quantities.

`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).

`SinglePoint`¶

Section	Description	MetaInfo
`SinglePoint`	Definitions for single point workflow.	Open in MetaInfo browser

This section has no direct quantities.

`SinglePointMethod`¶

Section	Description	MetaInfo
`SinglePointMethod`	Contains definitions for the input model of a single point workflow.	Open in MetaInfo browser

This section has no direct quantities.

`SinglePointResults`¶

Section	Description	MetaInfo
`SinglePointResults`	Contains defintions for the results of a single point workflow.	Open in MetaInfo browser

This section has no direct quantities.

Workflow Overview