src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAtomsOutOfBoxScrewXYZ.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">-3.7999999999999998</Real>
   6     <Real Name="Y">-6.3499999999999996</Real>
   7     <Real Name="Z">-3.0499999999999998</Real>
   8   </Vector>
   9   <Vector Name="Virial y">
  10     <Real Name="X">-4.9000000000000004</Real>
  11     <Real Name="Y">-7.5999999999999996</Real>
  12     <Real Name="Z">-3.7000000000000002</Real>
  13   </Vector>
  14   <Vector Name="Virial z">
  15     <Real Name="X">-6</Real>
  16     <Real Name="Y">-8.8499999999999996</Real>
  17     <Real Name="Z">-4.3499999999999996</Real>
  18   </Vector>
  19 </ReferenceData>