- class Transport(*, geometry, material, checkpoint=None, checkpoint_out=None, comm=None, process_grid_shape=None)
- __init__(*, geometry, material, checkpoint=None, checkpoint_out=None, comm=None, process_grid_shape=None)
Compose a System to calculate from its pieces. Each piece could be provided as an object or a dictionary of parameters suitable for initializing that object.
checkpoint (Optional[str]) – [Input file] Checkpoint file to read at start-up.
checkpoint_out (Optional[str]) – [Input file] Checkpoint file to write. Defaults to checkpoint if unspecified.
comm (Optional[Comm]) – Overall communicator for system. Defaults to qimpy.rc.comm if unspecified.
process_grid_shape (Optional[Sequence[int]]) – Parallelization dimensions over replicas, k-points and bands/basis, used to initialize a qimpy.mpi.ProcessGrid. Dimensions that are -1 will be auto-determined based on number of tasks available to split along them. Default: all process grid dimensions are auto-determined.
Compose a System to calculate from its pieces.
Construct child object self.`attr_name` of type cls.
Invoke add_child on one of several child options in args.
Save self and all children in hierarchy to cp_path.
- child_names: list[str]
Names of attributes with child objects.