cell_to_cellpar

torch_sim.models.orb.cell_to_cellpar(cell, radians=False)

Returns the cell parameters [a, b, c, alpha, beta, gamma]. torch version of ase’s cell_to_cellpar.

Parameters:

• cell (Tensor) – lattice vector in row vector convention, same as ase

• radians (bool) – If True, return angles in radians. Otherwise, return degrees (default).

Returns:

Tensor with [a, b, c, alpha, beta, gamma].

Return type:

Tensor