mindchemistry.e3.utils

API Name

Description

Supported Platforms

mindchemistry.e3.utils.Ncon

Multiple-tensor contraction operator which has similar function to Einsum.

Ascend

mindchemistry.e3.utils.radius

Find all points in x for each element in y within distance r.

Ascend

mindchemistry.e3.utils.radius_full

Find all points in x for each element in y.

Ascend

mindchemistry.e3.utils.radius_graph

Computes graph edges to all points within a given distance.

Ascend

mindchemistry.e3.utils.radius_graph_full

Computes graph edges to all points within a given distance.

Ascend