src/gromacs/ewald/tests/refdata/DifferentEpsilonR_PmeSolveTest_ReproducesOutputs_14.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <NonZeroGridValues Name="ComplexSpaceGrid">
   5     <Real Name="Cell 0 4 0 im">0.069611755525075203</Real>
   6     <Real Name="Cell 0 6 7 re">0.79383865750335914</Real>
   7     <Real Name="Cell 2 5 10 re">0.88080833389314583</Real>
   8     <Real Name="Cell 2 5 10 im">2.6057246301282095</Real>
   9     <Real Name="Cell 4 2 7 re">19.096438861780406</Real>
  10     <Real Name="Cell 4 2 7 im">-55.512902744572756</Real>
  11   </NonZeroGridValues>
  12   <Real Name="Energy">2517.0732499817609</Real>
  13   <Matrix Name="Virial">
  14     <Real Name="Cell 0 0">1955.3066447228091</Real>
  15     <Real Name="Cell 1 0">2721.032422877171</Real>
  16     <Real Name="Cell 1 1">1103.5308152551913</Real>
  17     <Real Name="Cell 2 0">1875.3173324817626</Real>
  18     <Real Name="Cell 2 1">1534.4704541572983</Real>
  19     <Real Name="Cell 2 2">-113.42604180841099</Real>
  20   </Matrix>
  21 </ReferenceData>