return copy to original version

m-a-d-n-e-s-s · Oct 26, 2023 · 79d8fb2 · 79d8fb2
1 parent a198211
commit 79d8fb2
Show file tree

Hide file tree

Showing 2 changed files with 2 additions and 8 deletions.
diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp
@@ -191,11 +191,7 @@ void FrequencyResponse::iterate(World &world) {
         iter_function_data["r_d"] = old_density_residual;
 
 
-        if (compute_y) {
-            Chi = new_chi.copy();
-        } else {
-            Chi.x = new_chi.x.copy();
-        }
+        Chi= new_chi.copy();
 
         if (r_params.print_level() >= 1) { molresponse::start_timer(world); }
         x_residual = copy(new_res.residual_norms);
@@ -220,8 +216,6 @@ void FrequencyResponse::iterate(World &world) {
                 printf("\n--------Response Properties after %d-------------\n", static_cast<int>(iter));
                 print("<<X,P>> at omega =", omega);
                 print(polar);
-                print("res r<<X,P>> at omega =", omega);
-                print(res_polar);
             }
         }
         if (r_params.print_level() >= 1) {

diff --git a/src/apps/molresponse/x_space.h b/src/apps/molresponse/x_space.h
@@ -57,7 +57,7 @@ namespace madness {
         [[nodiscard]] X_space copy() const {
             auto &world = x[0][0].world();
             auto new_x = X_space(*this);// copy
-            for (int i = 0; i < new_x.num_states(); i++) {
+            for (const auto &i: new_x.active) {
                 new_x.x[i] = madness::copy(world, x[i], false);
                 new_x.y[i] = madness::copy(world, y[i], false);
             }