espaloma.mm.geometry.dihedral

espaloma.mm.geometry.dihedral(x0: torch.Tensor, x1: torch.Tensor, x2: torch.Tensor, x3: torch.Tensor) → torch.Tensor

Dihedral between four points.

Closely follows implementation in Yutong Zhao’s timemachine:

https://github.com/proteneer/timemachine/blob/1a0ab45e605dc1e28c44ea90f38cb0dedce5c4db/timemachine/potentials/bonded.py#L152-L199