def test_magmom(convcell_cr: PhonopyAtoms): """Test symmetry search with hmagnetic moments.""" symprec = 1e-5 symmetry_nonspin = Symmetry(convcell_cr, symprec=symprec) atom_map_nonspin = symmetry_nonspin.get_map_atoms() len_sym_nonspin = len(symmetry_nonspin.symmetry_operations["rotations"]) spin = [1, -1] cell_withspin = convcell_cr.copy() cell_withspin.magnetic_moments = spin symmetry_withspin = Symmetry(cell_withspin, symprec=symprec) atom_map_withspin = symmetry_withspin.get_map_atoms() len_sym_withspin = len(symmetry_withspin.symmetry_operations["rotations"]) broken_spin = [1, -2] cell_brokenspin = convcell_cr.copy() cell_brokenspin = convcell_cr.copy() cell_brokenspin.magnetic_moments = broken_spin symmetry_brokenspin = Symmetry(cell_brokenspin, symprec=symprec) atom_map_brokenspin = symmetry_brokenspin.get_map_atoms() len_sym_brokenspin = len( symmetry_brokenspin.symmetry_operations["rotations"]) assert (atom_map_nonspin == atom_map_withspin).all() assert (atom_map_nonspin != atom_map_brokenspin).any() assert len_sym_nonspin == len_sym_withspin assert len_sym_nonspin != len_sym_brokenspin
def test_Cr_copy_magnetic_moments(convcell_cr: PhonopyAtoms, helper_methods): """Test by Cr with [1, -1] magnetic moments.""" convcell_cr.magnetic_moments = [1, -1] helper_methods.compare_cells(convcell_cr, convcell_cr.copy()) helper_methods.compare_cells_with_order(convcell_cr, convcell_cr.copy()) convcell_cr.magnetic_moments = None