Remove redundant E_ind calculation.

chemle · Jul 31, 2024 · f4ab339 · f4ab339
1 parent 2515ab6
commit f4ab339
Showing 1 changed file with 0 additions and 1 deletion.
diff --git a/emle/calculator.py b/emle/calculator.py
@@ -2176,7 +2176,6 @@ def _get_mu_ind(self, r_data, mesh_data, q, s, q_val, k_Z):
         ).flatten()
 
         mu_ind = _torch.linalg.solve(A, fields)
-        E_ind = mu_ind @ fields * 0.5
         return mu_ind.reshape((-1, 3))
 
     def _get_A_thole(self, r_data, s, q_val, k_Z):