deepmd.infer.deep_dipole
Module Contents
Classes
Deep dipole model. |
- class deepmd.infer.deep_dipole.DeepDipole(model_file: str, *args: List[Any], auto_batch_size: bool | int | deepmd.utils.batch_size.AutoBatchSize = True, neighbor_list: ase.neighborlist.NewPrimitiveNeighborList | None = None, **kwargs: Dict[str, Any])[source]
Bases:
deepmd.infer.deep_tensor.DeepTensor
Deep dipole model.
- Parameters:
- model_file
Path
The name of the frozen model file.
- *args
list
Positional arguments.
- auto_batch_sizebool or
int
orAutoBatchSize
, default:True
If True, automatic batch size will be used. If int, it will be used as the initial batch size.
- neighbor_list
ase.neighborlist.NewPrimitiveNeighborList
,optional
The ASE neighbor list class to produce the neighbor list. If None, the neighbor list will be built natively in the model.
- **kwargs
dict
Keyword arguments.
- model_file