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Specifications and Common Mistakes

- Specifications and Common Mistakes:

- Misspellings or punctuation mistakes,incorrect formulas, abnormal display.

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sponge.function.calc_torsion_nopbc

sponge.function.calc_torsion_nopbc(position_a: Tensor, position_b: Tensor, position_c: Tensor, position_d: Tensor, keepdims: bool = False)

Compute torsion angle A-B-C-D formed by four positions $A$, $B$, $C$ and $D$ without periodic boundary condition.

Parameters

• position_a (Tensor) – Tensor of shape $(...,D)$. Data type is float. D is 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 $C$.

• position_d (Tensor) – Tensor of shape $(...,D)$. Data type is float. Position coordinate of point $D$.

• 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.

Supported Platforms:

Ascend GPU