Add a fourth coordinate to virial tests

[alexxy/gromacs.git] / src / gromacs / mdlib / tests / refdata / CalcvirTest_CanCalculateVirialAllAtomsInBox.xml

diff --git a/src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAllAtomsInBox.xml b/src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAllAtomsInBox.xml
index 68e13d9d89b01052313d96c25bbfa08505b392e7..a5fae734224d1b01aa43261fb7d5c1502515bcd8 100644 (file)
--- a/src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAllAtomsInBox.xml
+++ b/src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAllAtomsInBox.xml
@@ -2,18 +2,18 @@
 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
 <ReferenceData>
   <Vector Name="Virial x">
-    <Real Name="X">-3</Real>
-    <Real Name="Y">-4.9500000000000002</Real>
-    <Real Name="Z">-2.6499999999999999</Real>
+    <Real Name="X">-3.4500000000000002</Real>
+    <Real Name="Y">-5.2999999999999998</Real>
+    <Real Name="Z">-2.9499999999999997</Real>
   </Vector>
   <Vector Name="Virial y">
-    <Real Name="X">-3.9000000000000004</Real>
-    <Real Name="Y">-5.8499999999999996</Real>
-    <Real Name="Z">-3.2000000000000002</Real>
+    <Real Name="X">-6.1500000000000004</Real>
+    <Real Name="Y">-7.5999999999999996</Real>
+    <Real Name="Z">-4.7000000000000002</Real>
   </Vector>
   <Vector Name="Virial z">
-    <Real Name="X">-4.8000000000000007</Real>
-    <Real Name="Y">-6.75</Real>
-    <Real Name="Z">-3.75</Real>
+    <Real Name="X">-8.8500000000000014</Real>
+    <Real Name="Y">-9.9000000000000004</Real>
+    <Real Name="Z">-6.4500000000000002</Real>
   </Vector>
 </ReferenceData>