deeperwin.local_features.build_local_rotation_matrices

deeperwin.local_features.build_local_rotation_matrices(phys_config: deeperwin.configuration.PhysicalConfig, tol=1e-06)

Builds a rotation matrix for each atom, defining a local coordinate system.

Parameters

• phys_config –

• tol – Numerical tolerance to detect degeneracies

Returns

[n_ions x 3 x 3] np.array

Return type

rot_matrices