ValGrad¶
-
class
dqc.utils.
ValGrad
(value: torch.Tensor, grad: Optional[torch.Tensor] = None, lapl: Optional[torch.Tensor] = None, kin: Optional[torch.Tensor] = None)[source]¶ Data structure that contains local information about density profiles.
-
value
¶ Tensors containing the value of the local information.
- Type
torch.Tensor
-
grad
¶ If tensor, it represents the gradient of the local information with shape
(..., 3)
where...
should be the same shape asvalue
.- Type
torch.Tensor or None
-
lapl
¶ If tensor, represents the laplacian value of the local information. It should have the same shape as
value
.- Type
torch.Tensor or None
-
kin
¶ If tensor, represents the local kinetic energy density. It should have the same shape as
value
.- Type
torch.Tensor or None
-