Another bug fixed

XanaduAI · Nov 8, 2023 · f4ca97b · f4ca97b
1 parent 8a03e5d
commit f4ca97b
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/grad_dft/train.py b/grad_dft/train.py
@@ -694,7 +694,7 @@ def mse_energy_and_density_loss(
             diff_energy = diff_energy / num_elec
         sum_rho += diff_rho
         sum_energy += diff_energy**2
-    energy_contrib = energy_factor * sum_energy / len(atoms)
+    energy_contrib = energy_factor * sum_energy / len(atoms_list)
     rho_contrib = rho_factor * sum_rho / len(atoms_list)
 
     return energy_contrib + rho_contrib