src/gromacs/ewald/tests/refdata/PmeDiffEwaldLJ_SolveTest_WorksWith_box_rect_grid_16_12_28_gridvalues_second_eps_1_2_ewaldq_2_ewaldlj_2_35_method_LJ.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">-0.014734386660503283</Real>
   6     <Real Name="Cell 0 6 7 re">-1.9260433175085867e-12</Real>
   7     <Real Name="Cell 2 5 10 re">-1.413009482353229e-21</Real>
   8     <Real Name="Cell 2 5 10 im">-4.1801530129700011e-21</Real>
   9     <Real Name="Cell 4 2 7 re">-2.8112014428689828e-10</Real>
  10     <Real Name="Cell 4 2 7 im">8.1720970817089197e-10</Real>
  11   </NonZeroGridValues>
  12   <Real Name="Energy">-0.0022101946504346128</Real>
  13   <Matrix Name="Virial">
  14     <Real Name="Cell 0 0">0.0011050803459824404</Real>
  15     <Real Name="Cell 1 0">-1.9975569870376849e-08</Real>
  16     <Real Name="Cell 1 1">-0.0056561825503867015</Real>
  17     <Real Name="Cell 2 0">-1.1885464406244038e-07</Real>
  18     <Real Name="Cell 2 1">-1.3974988391173238e-07</Real>
  19     <Real Name="Cell 2 2">0.0011042651858169206</Real>
  20   </Matrix>
  21 </ReferenceData>