Fix warnings

radicalpy/data.py

@@ -356,7 +356,7 @@ def pauli(self):
 
     @property
     def gamma_mT(self):
-        """Return magnetogyric ratio, :math:`\gamma` (rad/s/mT)."""
+        r"""Return magnetogyric ratio, :math:`\gamma` (rad/s/mT)."""
         return self.magnetogyric_ratio * 0.001
 
     @property

radicalpy/estimations.py

@@ -503,7 +503,7 @@ def k_ST_mixing(Bhalf: float) -> float:
 def k_electron_transfer(
     separation: float, driving_force: float = -1, reorganisation_energy: float = 1
 ) -> float:
-    """Electron transfer rate.
+    r"""Electron transfer rate.
 
     The default values (when `-driving_force ==
     reorganisation_energy`) return the maximum electron transfer rate.

radicalpy/simulation.py

@@ -670,7 +670,7 @@ def product_yield(product_probability, time, k):
         product_yield = k * sp.integrate.cumulative_trapezoid(
             product_probability, time, initial=0
         )
-        product_yield_sum = k * np.trapz(product_probability, dx=time[1])
+        product_yield_sum = k * np.trapezoid(product_probability, dx=time[1])
         return product_yield, product_yield_sum
 
     def apply_liouville_hamiltonian_modifiers(self, H, modifiers):
@@ -727,14 +727,14 @@ def initial_density_matrix(self, state: State, H: np.ndarray) -> np.ndarray:
 
     @staticmethod
     def unitary_propagator(H: np.ndarray, dt: float) -> np.ndarray:
-        """Create unitary propagator (Hilbert space).
+        r"""Create unitary propagator (Hilbert space).
 
         Create unitary propagator matrices **U** and **U*** for time
         evolution of the density matrix in Hilbert space (for the spin
         Hamiltonian `H`).
 
         .. math::
-            \mathbf{U}   =& \exp( -i \hat{H} t ) \\\\
+            \mathbf{U}   =& \exp( -i \hat{H} t ) \\
             \mathbf{U}^* =& \exp( +i \hat{H} t )
 
         See also: `propagate` and `time_evolution`.
@@ -856,7 +856,7 @@ def initial_density_matrix(self, state: State, H: np.ndarray) -> np.ndarray:
 
     @staticmethod
     def unitary_propagator(H, dt):
-        """Create unitary propagator (Liouville space).
+        r"""Create unitary propagator (Liouville space).
 
         Create unitary propagator matrix **U** for the time evolution
         of the density matrix in Liouville space (for the spin