From 69db7b5c0f70dcb8442f413e958f8f8654dc3251 Mon Sep 17 00:00:00 2001 From: David van der Spoel Date: Fri, 8 Feb 2019 10:00:35 +0100 Subject: [PATCH] Increase tolerance in Angle test. One of the new listed-forces tests failed due to precision in post-submit. Increasing the tolerance should fix it. Part of #2795 Change-Id: I1586a92642b4fc257ad65d94337e7caf99385f53 --- src/gromacs/listed_forces/tests/bonded.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/gromacs/listed_forces/tests/bonded.cpp b/src/gromacs/listed_forces/tests/bonded.cpp index 55657e698b..ed3a185712 100644 --- a/src/gromacs/listed_forces/tests/bonded.cpp +++ b/src/gromacs/listed_forces/tests/bonded.cpp @@ -526,8 +526,8 @@ const real cQuarticAngles[5] = { 1.1, 2.3, 4.6, 7.8, 9.2 }; //! Function types for testing angles. Add new terms at the end. std::vector c_InputAngles = { - { iListInput(1e-3, 1e-8).setHarmonic(F_ANGLES, 100.0, 50.0) }, - { iListInput(1e-3, 1e-8).setHarmonic(F_ANGLES, 100.15, 50.0, 95.0, 30.0) }, + { iListInput(2e-3, 1e-8).setHarmonic(F_ANGLES, 100.0, 50.0) }, + { iListInput(2e-3, 1e-8).setHarmonic(F_ANGLES, 100.15, 50.0, 95.0, 30.0) }, { iListInput(8e-3, 1e-8).setHarmonic(F_G96ANGLES, 100.0, 50.0) }, { iListInput(8e-3, 1e-8).setHarmonic(F_G96ANGLES, 100.0, 50.0, 95.0, 30.0) }, { iListInput().setLinearAngle(50.0, 0.4) }, -- 2.22.0