moyo_noncollinear_magnetic_dataset_new Interface

interface
public function moyo_noncollinear_magnetic_dataset_new(basis, positions, numbers, magnetic_moments, num_atoms, symprec, angle_tolerance, mag_symprec, is_axial, rotate_basis) result(dataset) bind(c, name="moyo_noncollinear_magnetic_dataset_new"))

Arguments

Type IntentOptional Attributes Name
real(kind=c_double), intent(in) :: basis(3,3)
real(kind=c_double), intent(in) :: positions(3,*)
integer(kind=c_int32_t), intent(in) :: numbers(*)
real(kind=c_double), intent(in) :: magnetic_moments(3,*)
integer(kind=c_int32_t), value :: num_atoms
real(kind=c_double), value :: symprec
real(kind=c_double), value :: angle_tolerance
real(kind=c_double), value :: mag_symprec
logical(kind=c_bool), value :: is_axial
logical(kind=c_bool), value :: rotate_basis

Return Value type(c_ptr)

Description

Analyze the magnetic symmetry of a non-collinear magnetic cell (magnetic_moments(:, i) is the Cartesian moment of site i); returns a pointer to a MoyoNonCollinearMagneticDataset or NULL on failure.