deepmd.pt.utils.dataset

deepmd.pt.utils.dataset#

Classes#

DeepmdDataSetForLoader

Module Contents#

class deepmd.pt.utils.dataset.DeepmdDataSetForLoader(system: str, type_map: list[str] | None = None, modifier: deepmd.pt.modifier.BaseModifier | None = None)[source]#

Bases: torch.utils.data.Dataset

system[source]#
_type_map = None[source]#
modifier = None[source]#
_data_system[source]#
mixed_type[source]#
_ntypes[source]#
_natoms[source]#
_natoms_vec[source]#
__len__() → int[source]#
property data_system: deepmd.utils.data.DeepmdData[source]#

Expose the underlying DeePMD data system.

__getitem__(index: int) → dict[str, Any][source]#

Get a frame from the selected system.

add_data_requirement(data_requirement: list[deepmd.utils.data.DataRequirementItem]) → None[source]#

Add data requirement for this data system.

preload_and_modify_all_data_torch() → None[source]#