src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAtomsOutOfBoxScrewZ.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">-5</Real>
   6     <Real Name="Y">-8.4499999999999993</Real>
   7     <Real Name="Z">-3.6499999999999999</Real>
   8   </Vector>
   9   <Vector Name="Virial y">
  10     <Real Name="X">-6.3000000000000007</Real>
  11     <Real Name="Y">-10.050000000000001</Real>
  12     <Real Name="Z">-4.4000000000000004</Real>
  13   </Vector>
  14   <Vector Name="Virial z">
  15     <Real Name="X">-5.8000000000000007</Real>
  16     <Real Name="Y">-8.5</Real>
  17     <Real Name="Z">-4.25</Real>
  18   </Vector>
  19 </ReferenceData>