qimpy.transport.geometry.Geometry

class Geometry(*, material, process_grid)

Bases: TreeNode

Geometry specification.

Parameters:

• material (Material) –

• process_grid (ProcessGrid) –

__init__(*, material, process_grid)

Initialize geometry parameters, typically used from a derived class.

Parameters:

• material (Material) –

• process_grid (ProcessGrid) –

Methods

__init__	Initialize geometry parameters, typically used from a derived class.
add_child	Construct child object self.`attr_name` of type cls.
add_child_one_of	Invoke add_child on one of several child options in args.
rho_dot	Return list of drho/dt from PatchSet or ParameterGrid
save_checkpoint	Save self and all children in hierarchy to cp_path.

Attributes

comm	Communicator for real-space split over patches
material	Corresponding material
dt_max	Maximum stable time step
child_names	Names of attributes with child objects.

abstract rho_dot(rho_list_eval, t)

Return list of drho/dt from PatchSet or ParameterGrid

Parameters:

• rho_list_eval (list[Tensor]) –

• t (float) –

Return type:

list[Tensor]

comm: Comm

Communicator for real-space split over patches

dt_max: float

Maximum stable time step

material: Material

Corresponding material