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