deepmd.pt.utils.dataset

Classes

DeepmdDataSetForLoader

Module Contents

class deepmd.pt.utils.dataset.DeepmdDataSetForLoader(system: str, type_map: List[str] | None = None)[source]

Bases: torch.utils.data.Dataset

system[source]

_type_map[source]

_data_system[source]

mixed_type[source]

_ntypes[source]

_natoms[source]

_natoms_vec[source]

__len__()[source]

__getitem__(index)[source]: Get a frame from the selected system.

add_data_requirement(data_requirement: List[deepmd.utils.data.DataRequirementItem])[source]: Add data requirement for this data system.