fix by negating x again and negating the whole answer

m-a-d-n-e-s-s · Sep 8, 2023 · 7c2c455 · 7c2c455
1 parent 42d46e1
commit 7c2c455
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp
@@ -638,7 +638,7 @@ Tensor<double> QuadraticResponse::compute_beta(World &world) {
         cout << beta << endl;
     }
 
-    return 2 * beta;
+    return -2.0 * beta;
 }
 
 std::pair<X_space, X_space> QuadraticResponse::compute_first_order_fock_matrix_terms(World &world, const X_space &A,