src/gromacs/ewald/tests/refdata/PmeDiffEwaldQ_SolveTest_WorksWith_box_rect_grid_16_12_28_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">8.2210755664916266e-34</Real>
   8     <Real Name="Cell 3 1 2 im">1.0824415863094144e-32</Real>
   9     <Real Name="Cell 7 0 0 re">-5.304469719659124e-20</Real>
  10     <Real Name="Cell 7 0 0 im">-1.4852514962108722e-20</Real>
  11   </NonZeroGridValues>
  12   <Real Name="Energy">7.1504251644035224e-20</Real>
  13   <Matrix Name="Virial">
  14     <Real Name="Cell 0 0">3.4127262624793653e-18</Real>
  15     <Real Name="Cell 1 0">5.928726683524322e-31</Real>
  16     <Real Name="Cell 1 1">-3.5752125821552614e-20</Real>
  17     <Real Name="Cell 2 0">2.015767128939013e-30</Real>
  18     <Real Name="Cell 2 1">1.5809937822731524e-30</Real>
  19     <Real Name="Cell 2 2">-3.5752125816642233e-20</Real>
  20   </Matrix>
  21 </ReferenceData>