def get_orbit(self, p, m, tol=1e-5):
"""
Returns the orbit for a point and its associated magnetic moment.
Args:
p: Point as a 3x1 array.
m: A magnetic moment, compatible with
:class:`pymatgen.electronic_structure.core.Magmom`
tol: Tolerance for determining if sites are the same. 1e-5 should
be sufficient for most purposes. Set to 0 for exact matching
(and also needed for symbolic orbits).
Returns:
(([array], [array])) Tuple of orbit for point and magnetic moments for orbit.
"""
orbit = []
orbit_magmoms = []
m = Magmom(m)
for o in self.symmetry_ops:
pp = o.operate(p)
pp = np.mod(np.round(pp, decimals=10), 1)
mm = o.operate_magmom(m)
if not in_array_list(orbit, pp, tol=tol):
orbit.append(pp)
orbit_magmoms.append(mm)
return orbit, orbit_magmoms
def get_orbit(self, p, m, tol=1e-5):
"""
Returns the orbit for a point and its associated magnetic moment.
Args:
p: Point as a 3x1 array.
m: A magnetic moment, compatible with
:class:`pymatgen.electronic_structure.core.Magmom`
tol: Tolerance for determining if sites are the same. 1e-5 should
be sufficient for most purposes. Set to 0 for exact matching
(and also needed for symbolic orbits).
Returns:
(([array], [array])) Tuple of orbit for point and magnetic moments for orbit.
"""
orbit = []
orbit_magmoms = []
m = Magmom(m)
for o in self.symmetry_ops:
pp = o.operate(p)
pp = np.mod(np.round(pp, decimals=10), 1)
mm = o.operate_magmom(m)
if not in_array_list(orbit, pp, tol=tol):
orbit.append(pp)
orbit_magmoms.append(mm)
return orbit, orbit_magmoms