From: David van der Spoel <spoel@xray.bmc.uu.se>
Date: Fri, 8 Feb 2019 16:04:47 +0000 (+0100)
Subject: Increased tolerance for angle functions.
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=fb681d73b7c125a9ef18692444611ea425370c88;p=alexxy%2Fgromacs.git

Increased tolerance for angle functions.

Increased the tolerance for urey-bradley and
quartic angles some more.

Part of #2795.

Change-Id: I929957f1a8de7ad78d174cc613c544234f1450d0
---

diff --git a/src/gromacs/listed_forces/tests/bonded.cpp b/src/gromacs/listed_forces/tests/bonded.cpp
index ed3a185712..bb3a503d37 100644
--- a/src/gromacs/listed_forces/tests/bonded.cpp
+++ b/src/gromacs/listed_forces/tests/bonded.cpp
@@ -534,9 +534,9 @@ std::vector<iListInput> c_InputAngles =
     { iListInput().setLinearAngle(50.0, 0.4, 40.0, 0.6) },
     { iListInput(2e-6, 1e-8).setCrossBondBonds(0.8, 0.7, 45.0) },
     { iListInput(2e-6, 1e-8).setCrossBondAngles(0.8, 0.7, 0.3, 45.0) },
-    { iListInput(8e-3, 1e-8).setUreyBradley(950.0, 46.0, 0.3, 5.0) },
-    { iListInput(8e-3, 1e-8).setUreyBradley(100.0, 45.0, 0.3, 5.0, 90.0, 47.0, 0.32, 7.0) },
-    { iListInput(7e-4, 1e-8).setQuarticAngles(87.0, cQuarticAngles ) }
+    { 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 ) }
 };
 
 //! Constants for Ryckaert-Bellemans A