sponge.function.calc_distance_pbc

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

Compute distance between position \(A\) and \(B\) at perodic bundary condition.

Parameters

position_a (Tensor) – Tensor of shape \((..., D)\). Data type is float. D means spatial dimension of the simulation system. Usually is 3. 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. B means batchsize, i.e. number of walkers in simulation 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.