sponge.function.calc_torsion_by_vectors

sponge.function.calc_torsion_by_vectors(vector1: Tensor, vector2: Tensor, axis_vector: Tensor = None, keepdims: bool = False)[source]

Compute torsion angle formed by two direction vectors \(\vec{v_1}\) and \(\vec{v_2}\): and an axis vector \(\vec{v_{axis}}\).

Parameters

vector1 (Tensor) – Tensor of shape \((..., D)\). Data type is float. D is spatial dimension of the simulation system. Usually is 3. Direction vector \(\vec{v_1}\)
vector2 (Tensor) – Tensor of shape \((..., D)\). Data type is float. Direction vector \(\vec{v_2}\)
axis_vector (Tensor) – Tensor of shape \((..., D)\). Data type is float. Axis vector \(\vec{v_{axis}}\). Default: None.
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

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