sponge.partition.FullConnectNeighbours

class sponge.partition.FullConnectNeighbours(num_atoms: int)[source]

Full connected neighbour list

Parameters: num_atoms (int) – Number of atoms

Supported Platforms:: Ascend GPU

Examples

>>> import sponge
>>> from sponge.partition import FullConnectNeighbours
>>> full_connect_neighbours = FullConnectNeighbours(3)
>>> full_connect_neighbours()
(Tensor(shape=[1, 3, 2], dtype=Int32, value=
 [[[1, 2],
 [0, 2],
 [0, 1]]]),
 Tensor(shape=[1, 3, 2], dtype=Bool, value=
 [[[ True,  True],
 [ True,  True],
 [ True,  True]]]))