From 4e2c5e50f8941fbb3479c86b35e14717e044f957 Mon Sep 17 00:00:00 2001 From: Adrian Hurtado Date: Mon, 6 Nov 2023 14:23:07 -0500 Subject: [PATCH] Tighten the density convergence --- src/apps/molresponse/testing/runners.hpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/apps/molresponse/testing/runners.hpp b/src/apps/molresponse/testing/runners.hpp index 11859de79de..f615225d3ac 100644 --- a/src/apps/molresponse/testing/runners.hpp +++ b/src/apps/molresponse/testing/runners.hpp @@ -545,10 +545,10 @@ void set_frequency_response_parameters(World &world, ResponseParameters &r_param if (world.rank() == 0) { if (precision == "high") { r_params.set_user_defined_value>("protocol", {1e-4, 1e-6, 1e-8}); - r_params.set_user_defined_value("dconv", 1e-6); + r_params.set_user_defined_value("dconv", 1e-7); } else if (precision == "low") { r_params.set_user_defined_value>("protocol", {1e-4, 1e-6}); - r_params.set_user_defined_value("dconv", 1e-4); + r_params.set_user_defined_value("dconv", 1e-5); } else { r_params.set_user_defined_value>("protocol", {1e-9}); r_params.set_user_defined_value("dconv", 1e-6);