From 4b2e89b3213b8610bc1c25450df63810c428e0e4 Mon Sep 17 00:00:00 2001 From: Adrian Hurtado Date: Thu, 14 Dec 2023 14:14:17 -0500 Subject: [PATCH] print beta after finish computation --- src/apps/molresponse/testing/runners.hpp | 7 +++++++ 1 file changed, 7 insertions(+) diff --git a/src/apps/molresponse/testing/runners.hpp b/src/apps/molresponse/testing/runners.hpp index f615225d3ac..47229bd1851 100644 --- a/src/apps/molresponse/testing/runners.hpp +++ b/src/apps/molresponse/testing/runners.hpp @@ -1096,6 +1096,13 @@ void runQuadraticResponse(World &world, const frequencySchema &schema, const std quad_calculation.set_x_data(world, omegas, restarts); auto beta_abc = quad_calculation.compute_beta(world); + // print the beta values for the frequency combination + if (world.rank() == 0) { + print("Beta values for omega_a = ", omega_a, " omega_b = ", omega_b, " omega_c = ", + omega_c); + print(beta_abc); + } + nlohmann::ordered_json beta_entry; //beta_entry["omega_a"] = omega_a; //beta_entry["omega_b"] = omega_b;