src/gromacs/mdlib/tests/refdata/WithParameters_ConstraintsTest_SatisfiesConstraints_1.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <Sequence Name="FinalPositions">
   5     <Int Name="Length">2</Int>
   6     <Atom>
   7       <Real Name="XX">0.0021016474</Real>
   8       <Real Name="YY">0.087898351</Real>
   9       <Real Name="ZZ">0.0099999998</Real>
  10     </Atom>
  11     <Atom>
  12       <Real Name="XX">0.060658198</Real>
  13       <Real Name="YY">0.0093418043</Real>
  14       <Real Name="ZZ">-0.0099999998</Real>
  15     </Atom>
  16   </Sequence>
  17   <Sequence Name="FinalVelocities">
  18     <Int Name="Length">2</Int>
  19     <Atom>
  20       <Real Name="XX">-6.8983517</Real>
  21       <Real Name="YY">9.8983517</Real>
  22       <Real Name="ZZ">3</Real>
  23     </Atom>
  24     <Atom>
  25       <Real Name="XX">3.658196</Real>
  26       <Real Name="YY">1.341804</Real>
  27       <Real Name="ZZ">1</Real>
  28     </Atom>
  29   </Sequence>
  30   <VirialScaled>
  31     <Real Name="XX">-0.00055849785</Real>
  32     <Real Name="XY">0.00055849785</Real>
  33     <Real Name="XZ">0</Real>
  34     <Real Name="YX">0.00055849785</Real>
  35     <Real Name="YY">-0.00055849785</Real>
  36     <Real Name="YZ">0</Real>
  37     <Real Name="ZX">0</Real>
  38     <Real Name="ZY">0</Real>
  39     <Real Name="ZZ">0</Real>
  40   </VirialScaled>
  41 </ReferenceData>