rotate_gram_schmidt¶
- torch_sim.integrators.npt.rotate_gram_schmidt(box)[source]¶
Convert a batch of 3x3 box matrices into lower-triangular form.
- Parameters:
box (
torch.Tensor) – shape [n_systems, 3, 3]- Returns:
shape [n_systems, 3, 3] lower-triangular boxes
- Return type: