sponge.function.calc_angle_nopbc

sponge.function.calc_angle_nopbc(position_a: Tensor, position_b: Tensor, position_c: Tensor, keepdims: bool = False)[source]

Compute angle \(\angle{ABC}\) formed by the position coordinates of three positions: \(A\), \(B\) and \(C\) without periodic boundary 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 \(B\).
position_c (Tensor) – Tensor of shape (…, D). Data type is float. Position coordinate of point \(C\).
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

angle (Tensor), a tensor of shape (…) or (…, 1). Data type is float. Value of angle \(\angle{ABC}\).