diff --git a/radicalpy/data.py b/radicalpy/data.py index 2d100fe..fb1b4c4 100644 --- a/radicalpy/data.py +++ b/radicalpy/data.py @@ -233,13 +233,13 @@ def anisotropic(self) -> NDArray: return self._anisotropic @property - def isotropic(self) -> NDArray: + def isotropic(self) -> float: """Isotropic value. Returns: float: The isotropic HFC value. """ - return self._isotropic + return float(self._isotropic) class Nucleus: @@ -654,7 +654,7 @@ def semiclassical_std(self) -> float: n.spin_quantum_number * (n.spin_quantum_number + 1) * n.hfc.isotropic**2 for n in self.nuclei ) - return np.sqrt(2) / tau + return float(np.sqrt(2) / tau) class Triplet(Molecule):