select_final_opt_deform_tasks
- emmet.builders.materials.elasticity.select_final_opt_deform_tasks(opt_tasks, deform_tasks, logger, lattice_comp_tol=1e-5)
Select the final opt task and deform tasks for fitting.
This is achieved by selecting the opt–deform pairs with the same lattice, and also with the most deform tasks.
- Return type:
tuple[dict|None,list[dict] |None]- Parameters:
opt_tasks (list[tuple[ndarray, dict]])
deform_tasks (list[tuple[ndarray, list[dict]]])
lattice_comp_tol (float)
- Returns:
final_opt_task: selected opt task final_deform_tasks: selected deform tasks