From 7f8804feab9a12855605ca19e3eb9feac46f2f59 Mon Sep 17 00:00:00 2001
From: Adrian Hurtado <adrian.hurtado@stonybrook.edu>
Date: Thu, 26 Oct 2023 14:08:39 -0400
Subject: [PATCH] limit to maxsub+3

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

diff --git a/src/apps/molresponse/FrequencyResponse.cpp b/src/apps/molresponse/FrequencyResponse.cpp
index 76b77f24b67..9ad21c883dc 100644
--- a/src/apps/molresponse/FrequencyResponse.cpp
+++ b/src/apps/molresponse/FrequencyResponse.cpp
@@ -272,7 +272,7 @@ auto FrequencyResponse::update_response(World &world, X_space &chi, XCOperator<d
 
     auto [new_res, bsh_norms] = update_residual(world, chi, new_chi, r_params.calc_type(), old_residuals, xres_old);
     inner_to_json(world, "r_x", response_context.inner(new_res, new_res), iter_function_data);
-    if (iteration >= 0 && iteration <r_params.maxsub()+5) {// & (iteration % 3 == 0)) {
+    if (iteration >= 0 && iteration <r_params.maxsub()+3) {// & (iteration % 3 == 0)) {
         new_chi = kain_x_space_update(world, chi, new_res, kain_x_space);
     }
     chi_norm=new_chi.norm2s();