group_by_parent_lattice

emmet.builders.materials.elasticity.group_by_parent_lattice(tasks, mode, lattice_comp_tol=1e-5)

Groups a set of task docs by parent lattice equivalence.

Return type:

list[tuple[ndarray, list[dict]]]

Parameters:

• tasks (list[dict])

• mode (str)

• lattice_comp_tol (float)

Args:

tasks: task docs mode: determines which lattice to use. If opt, use the lattice of the

output structure, and this is intended for optimization tasks. If deform, use the lattice of the output structure and transform it by the deformation in transformation, and this is intended for deformation tasks.

lattice_comp_tol: tolerance for comparing lattice equivalence.

Returns:

[(lattice, list[tasks])]: each tuple gives the common parent lattice of a

list of the structures before deformation (if any), and the list tasks from which the structures are taken.