From abbeef9659f97083388f075f97e44090f4aa26e0 Mon Sep 17 00:00:00 2001 From: David van der Spoel Date: Fri, 8 Feb 2019 23:08:22 +0100 Subject: [PATCH] Further increase of tolerance for angles. Part of #2795 Change-Id: I0d698b6c079cfd008a5419ac2bb7de54ea6887a4 --- src/gromacs/listed_forces/tests/bonded.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/gromacs/listed_forces/tests/bonded.cpp b/src/gromacs/listed_forces/tests/bonded.cpp index bb3a503d37..24723bd574 100644 --- a/src/gromacs/listed_forces/tests/bonded.cpp +++ b/src/gromacs/listed_forces/tests/bonded.cpp @@ -536,7 +536,7 @@ std::vector c_InputAngles = { iListInput(2e-6, 1e-8).setCrossBondAngles(0.8, 0.7, 0.3, 45.0) }, { iListInput(2e-2, 1e-8).setUreyBradley(950.0, 46.0, 0.3, 5.0) }, { iListInput(2e-2, 1e-8).setUreyBradley(100.0, 45.0, 0.3, 5.0, 90.0, 47.0, 0.32, 7.0) }, - { iListInput(8e-4, 1e-8).setQuarticAngles(87.0, cQuarticAngles ) } + { iListInput(2e-3, 1e-8).setQuarticAngles(87.0, cQuarticAngles ) } }; //! Constants for Ryckaert-Bellemans A -- 2.22.0