src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAllAtomsInBox.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <Vector Name="Virial x">
   5     <Real Name="X">-3.4500000000000002</Real>
   6     <Real Name="Y">-5.2999999999999998</Real>
   7     <Real Name="Z">-2.9499999999999997</Real>
   8   </Vector>
   9   <Vector Name="Virial y">
  10     <Real Name="X">-6.1500000000000004</Real>
  11     <Real Name="Y">-7.5999999999999996</Real>
  12     <Real Name="Z">-4.7000000000000002</Real>
  13   </Vector>
  14   <Vector Name="Virial z">
  15     <Real Name="X">-8.8500000000000014</Real>
  16     <Real Name="Y">-9.9000000000000004</Real>
  17     <Real Name="Z">-6.4500000000000002</Real>
  18   </Vector>
  19 </ReferenceData>