sponge.function.calc_distance

sponge.function.calc_distance(position_a: Tensor, position_b: Tensor, pbc_box: Tensor = None, keepdims: bool = False)[source]

Compute distance between position \(A\) and \(B\).

Parameters

position_a (Tensor) – Tensor of shape \((..., D)\). Data type is float. Position coordinate of point \(A\).
position_b (Tensor) – Tensor of shape \((..., D)\). Data type is float. Position coordinate of point \(B\).
pbc_box (Tensor) – Tensor of shape \((D)\) or \((B, D)\). Data type is float. Size of PBC box \(\vec{L}\)
keepdims (bool) – If this is set to True , the last axis will be left in the result as dimensions with size one. Default: False .

Returns

distance (Tensor), a tensor of shape \((...)\) or \((..., 1)\) . Data type is float.