src/gromacs/ewald/tests/refdata/DifferentEwaldCoeffQ_PmeSolveTest_ReproducesOutputs_5.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">8.4622953572141195e-28</Real>
   6     <Real Name="Cell 4 2 7 re">1.4391546023548455e-17</Real>
   7     <Real Name="Cell 4 2 7 im">-4.1835888907446449e-17</Real>
   8   </NonZeroGridValues>
   9   <Real Name="Energy">1.8714632328759751e-15</Real>
  10   <Matrix Name="Virial">
  11     <Real Name="Cell 0 0">3.7666982237360117e-14</Real>
  12     <Real Name="Cell 1 0">3.2953536983167691e-14</Real>
  13     <Real Name="Cell 1 1">2.719533719427074e-14</Real>
  14     <Real Name="Cell 2 0">2.2284153811865816e-14</Real>
  15     <Real Name="Cell 2 1">1.9023058574562318e-14</Real>
  16     <Real Name="Cell 2 2">1.1928221757193622e-14</Real>
  17   </Matrix>
  18 </ReferenceData>