sponge.partition.FullConnectNeighbours

class sponge.partition.FullConnectNeighbours(num_atoms: int)

全连接近邻表。

参数：

• num_atoms (int) - 原子的数量。

支持平台：

Ascend GPU

样例：

>>> 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]]]))