otter.continue_plasma_workflow_from_electronic_result
- otter.continue_plasma_workflow_from_electronic_result(cfg: PlasmaWorkflowConfig, *, electronic_kind: str, electronic_result: dict[str, Any], multicomponent_preparation: PreparedMulticomponentIonStructure | None = None) dict[str, Any][source]
Continue the unified workflow from an already available electronic result.
- Parameters:
cfg – Unified workflow configuration. The composition and thermodynamic state must match the supplied electronic payload.
electronic_kind – Either “single_species” or “mixture”.
electronic_result – Previously solved electronic payload in the same shape returned by the workflow electronic stage.
multicomponent_preparation – Optional reusable QOZ preparation returned by
prepare_multicomponent_ion_structure_from_electronic_result(). It skips all ion-temperature-independent QOZ work; HNC is still solved independently at the requestedT_i.
- Returns:
dict – Top-level workflow payload with optional ion-structure results and the same
electronic["species"]access assolve_plasma_workflow(). Each entry references the final AA dictionary in the legacy payload; no profile arrays are copied to provide the additional access path.
Notes
Reuses the electronic result while recalculating QOZ/HNC with the requested ionic controls.
Examples using continue_plasma_workflow_from_electronic_result
Equilibrium aluminium structure factors: Schörner et al. (2022)