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.
Notes
This helper exists so expensive AA/full+ext results can be cached and then reused while iterating only on the downstream QOZ/HNC controls.
Examples using continue_plasma_workflow_from_electronic_result
Equilibrium aluminium structure factors: Schörner et al. (2022)