src/gromacs/ewald/tests/refdata/PmeDiffEwaldQ_SolveTest_WorksWith_box_rect_grid_9_7_23_gridvalues_first_eps_1_2_ewaldq_0_4_ewaldlj_0_7_method_Coulomb.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 0 0 re">3.5</Real>
   6     <Real Name="Cell 0 0 0 im">6.6999998092651367</Real>
   7     <Real Name="Cell 3 1 2 re">2.5569997686440613e-33</Real>
   8     <Real Name="Cell 3 1 2 im">3.3667162689091462e-32</Real>
   9     <Real Name="Cell 7 0 0 re">-1.0926105053292599</Real>
  10     <Real Name="Cell 7 0 0 im">-0.3059309362822199</Real>
  11   </NonZeroGridValues>
  12   <Real Name="Energy">1.4728389575368614</Real>
  13   <Matrix Name="Virial">
  14     <Real Name="Cell 0 0">6.4146764543159556</Real>
  15     <Real Name="Cell 1 0">1.8440108761334548e-30</Real>
  16     <Real Name="Cell 1 1">-0.73641947876843072</Real>
  17     <Real Name="Cell 2 0">6.269637154712327e-30</Real>
  18     <Real Name="Cell 2 1">4.91736233635588e-30</Real>
  19     <Real Name="Cell 2 2">-0.73641947876843072</Real>
  20   </Matrix>
  21 </ReferenceData>