Add a fourth coordinate to virial tests

[alexxy/gromacs.git] / src / gromacs / mdlib / tests / calcvir.cpp

diff --git a/src/gromacs/mdlib/tests/calcvir.cpp b/src/gromacs/mdlib/tests/calcvir.cpp
index 55043968c47b4287f624749acec4ed954dfc1f30..af09438bee8243905a728029355aabdd13ce1e6a 100644 (file)
--- a/src/gromacs/mdlib/tests/calcvir.cpp
+++ b/src/gromacs/mdlib/tests/calcvir.cpp
@@ -74,8 +74,9 @@ public:
                               5,
                               6,
                       },
-                      { 7, 8, 9 } },
-        forces_{ { 0.9, 0.1, 0.3 }, { 0.4, 0.7, 0.2 }, { 0.5, 1, 0.6 } },
+                      { 7, 8, 9 },
+                      { 1, 5, 9 } },
+        forces_{ { 0.9, 0.1, 0.3 }, { 0.4, 0.7, 0.2 }, { 0.5, 1, 0.6 }, { 0.9, 0.7, 0.6 } },
         numVirialAtoms_(coordinates_.size())
     {
         checker_.setDefaultTolerance(tolerances);