deepmd.tf.utils.region

Module Contents

Functions

to_face_distance(cell)	Compute the to-face-distance of the simulation cell.
b_to_face_distance(cell)

deepmd.tf.utils.region.to_face_distance(cell)

Compute the to-face-distance of the simulation cell.

Parameters:

celltf.Tensor

simulation cell tensor of shape [*, 3, 3].

Returns:

dist: tf.Tensor

the to face distances of shape [*, 3]

deepmd.tf.utils.region.b_to_face_distance(cell)