From 7b56d9e55538f5189bf26adb5081ae8112c51c24 Mon Sep 17 00:00:00 2001
From: Adrian Hurtado <adrian.hurtado@stonybrook.edu>
Date: Tue, 24 Oct 2023 19:14:35 -0400
Subject: [PATCH] compute_y bug

---
 src/apps/molresponse/FrequencyResponse.cpp | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp
index a72b771dab2..15b5b7574c4 100644
--- a/src/apps/molresponse/FrequencyResponse.cpp
+++ b/src/apps/molresponse/FrequencyResponse.cpp
@@ -283,6 +283,8 @@ 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); }