compute_y bug

ahurta92 · Jul 1, 2024 · 3589f5b · 3589f5b
1 parent 713c07b
commit 3589f5b
Showing 1 changed file with 2 additions and 0 deletions.
diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp
@@ -284,6 +284,8 @@ auto FrequencyResponse::update_response(World &world, X_space &chi, XCOperator<d
  new_chi = kain_x_space_update(world, chi, new_res, kain_x_space);
  }
  inner_to_json(world, "x_update", response_context.inner(new_chi, new_chi), iter_function_data);
+
+ bool compute_Y = r_params.calc_type() == "full";
  x_space_step_restriction(world, chi, new_chi, compute_y, max_rotation);
  if (r_params.print_level() >= 1) { molresponse::end_timer(world, "update response", "update", iter_timing); }