dxtb.components.field.new_efield

dxtb.components.field.new_efield(field, device=None, dtype=None)

Create an instance of the electric field interaction.

Return type:

ElectricField

Parameters:

• field (Tensor) – Electric field vector consisting of the three cartesian components.

• device (torch.device | None, optional) – Device to store the tensor on. If None (default), the device is inferred from the field argument.

• dtype (torch.dtype | None, optional) – Data type of the tensor. If None (default), the data type is inferred from the field argument.

Returns:

Instance of the electric field interaction.

Return type:

ElectricField

Raises:

RuntimeError – Shape of field is not a vector of length 3.

Parameters:

• field (Tensor)

• device (device | None)

• dtype (dtype | None)