otter.solve_plasma_workflow

otter.solve_plasma_workflow(cfg: PlasmaWorkflowConfig) → dict[str, Any][source]

Solve one unified plasma workflow from one composition specification.

Parameters:: cfg – Unified workflow configuration.
Returns:: dict – Top-level payload containing parsed composition, electronic structure, and optional ion-structure outputs. result["electronic"]["species"] is always a list in species_symbols order; each entry’s result is the native AA dictionary for that species. The legacy result["electronic"]["result"] layout remains available. When the ion stage is requested, result["ion"] includes v_ie_k (with v_ei_k as an alias), v_ee_k, c_ie_k, and c_ee_k on the returned k grid. Species profiles (q, f, V_ie, C_ie) have shape (Ns, Nk) even for Ns=1; pair fields have shape (Ns, Ns, Ngrid). Charges and ion densities have shape (Ns,). Common electron response fields remain (Nk,). electronic also exposes charge and AA-cell density vectors without requiring an ionic stage.