grogupy._core.calculate_anisotropy_tensor

grogupy._core.calculate_anisotropy_tensor(energies: ndarray[Any, dtype[_ScalarType_co]]) → tuple[ndarray[Any, dtype[_ScalarType_co]], float]

Calculates the renormalized anisotropy tensor from the energies.

The energies must be in the shape of a 3 by 3 matrix, where each row is an orientation and each column is a second order perpendicular rotation.

Parameters

energiesNDArray

The energies of the rotations

Returns

KNDArray

Elements of the anisotropy tensor

consistency_checkfloat

Absolute value of the difference from the consistency check