src/gromacs/mdlib/tests/refdata/CalcvirTest_CanCalculateVirialAtomsOutOfBoxScrewX.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">-6.7000000000000002</Real>
   6     <Real Name="Y">-8.7999999999999989</Real>
   7     <Real Name="Z">-4.9499999999999993</Real>
   8   </Vector>
   9   <Vector Name="Virial y">
  10     <Real Name="X">-12.65</Real>
  11     <Real Name="Y">-14.6</Real>
  12     <Real Name="Z">-8.6999999999999993</Real>
  13   </Vector>
  14   <Vector Name="Virial z">
  15     <Real Name="X">-16.649999999999999</Real>
  16     <Real Name="Y">-18.300000000000001</Real>
  17     <Real Name="Z">-11.25</Real>
  18   </Vector>
  19 </ReferenceData>