change order _calc_**_energy functions

src/hwave/solver/uhfr.py

@@ -881,12 +881,6 @@ def _calc_energy(self):
         _green_list = self.green_list
         Ene = {}
         Ene["band"] = 0
-        # Zero temperature case - sum up energies of occupied states
-        if self.T == 0:
-            Ene["band"] = _calc_zero_temp_energy(_green_list)
-        else:
-            Ene["band"] = _calc_finite_temp_energy(_green_list)
-
         def _calc_zero_temp_energy(self, green_list):
             """Calculate band energy for zero temperature case.
             
@@ -915,6 +909,39 @@ def _calc_zero_temp_energy(self, green_list):
                 energy += np.sum(eigenvalue[:occupied_number]) 
             return energy
 
+        def _calc_log_terms(self, eigenvalue, mu):
+            """Calculate logarithmic terms in grand potential.
+            
+            Parameters
+            ----------
+            eigenvalue : ndarray
+                Array of eigenvalues
+            mu : float
+                Chemical potential
+                
+            Returns
+            -------
+            ndarray
+                Array of logarithmic terms
+                
+            Notes
+            -----
+            Calculates ln(1 + exp(-(e-mu)/T)) for each eigenvalue.
+            Uses cutoff to avoid numerical overflow:
+            - If -(e-mu)/T < cutoff: use log1p for numerical stability
+            - If -(e-mu)/T >= cutoff: approximate as -(e-mu)/T
+            """
+            ln_Ene = np.zeros(eigenvalue.shape)
+            for idx, value in enumerate(eigenvalue):
+                # Check if exponential will overflow
+                if -(value - mu) / self.T < self.ene_cutoff:
+                    # Use log1p for numerical stability
+                    ln_Ene[idx] = np.log1p(np.exp(-(value - mu) / self.T))
+                else:
+                    # For large negative arguments, approximate as -(e-mu)/T
+                    ln_Ene[idx] = -(value - mu) / self.T
+            return ln_Ene
+
         def _calc_finite_temp_energy(self, green_list):
             """Calculate band energy for finite temperature case.
             
@@ -942,6 +969,7 @@ def _calc_finite_temp_energy(self, green_list):
                 eigenvec = self.green_list[k]["eigenvector"]   # Get eigenvectors  
                 mu = self.green_list[k]["mu"]                  # Chemical potential
 
+
                 # Calculate Fermi-Dirac occupations
                 fermi = self._fermi(mu, eigenvalue)
                 # Calculate logarithmic terms for entropy
@@ -951,40 +979,16 @@ def _calc_finite_temp_energy(self, green_list):
 
                 # Add mu*N term and entropy term
                 energy += mu*np.sum(tmp_n) - self.T * np.sum(ln_Ene)
-            return energy
-
-        def _calc_log_terms(self, eigenvalue, mu):
-            """Calculate logarithmic terms in grand potential.
-            
-            Parameters
-            ----------
-            eigenvalue : ndarray
-                Array of eigenvalues
-            mu : float
-                Chemical potential
-                
-            Returns
-            -------
-            ndarray
-                Array of logarithmic terms
-                
-            Notes
-            -----
-            Calculates ln(1 + exp(-(e-mu)/T)) for each eigenvalue.
-            Uses cutoff to avoid numerical overflow:
-            - If -(e-mu)/T < cutoff: use log1p for numerical stability
-            - If -(e-mu)/T >= cutoff: approximate as -(e-mu)/T
-            """
-            ln_Ene = np.zeros(eigenvalue.shape)
-            for idx, value in enumerate(eigenvalue):
-                # Check if exponential will overflow
-                if -(value - mu) / self.T < self.ene_cutoff:
-                    # Use log1p for numerical stability
-                    ln_Ene[idx] = np.log1p(np.exp(-(value - mu) / self.T))
-                else:
-                    # For large negative arguments, approximate as -(e-mu)/T
-                    ln_Ene[idx] = -(value - mu) / self.T
-            return ln_Ene
+            return energy      
+
+
+        # Zero temperature case - sum up energies of occupied states
+        if self.T == 0:
+            Ene["band"] = _calc_zero_temp_energy(_green_list)
+        else:
+            Ene["band"] = _calc_finite_temp_energy(_green_list)
+
+
 
         Ene["InterAll"] = 0
         green_local = self.Green.reshape((2 * self.Nsize) ** 2)