src/gromacs/ewald/tests/refdata/PmeDiffEps_SolveTest_WorksWith_box_tric_grid_16_12_28_gridvalues_first_eps_1_9_ewaldq_2_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">0.16722545973578318</Real>
   8     <Real Name="Cell 3 1 2 im">2.2018018256091723</Real>
   9     <Real Name="Cell 3 5 7 re">-7.9652622618007202e-05</Real>
  10     <Real Name="Cell 3 5 7 im">1.3275436906925452e-10</Real>
  11     <Real Name="Cell 6 2 4 re">1.8922041811864616</Real>
  12     <Real Name="Cell 6 2 4 im">0.1540166204445674</Real>
  13     <Real Name="Cell 7 0 0 re">-0.082605077929210347</Real>
  14     <Real Name="Cell 7 0 0 im">-0.02312942142628719</Real>
  15   </NonZeroGridValues>
  16   <Real Name="Energy">74.938609337774039</Real>
  17   <Matrix Name="Virial">
  18     <Real Name="Cell 0 0">131.28949599070333</Real>
  19     <Real Name="Cell 1 0">95.826683538849991</Real>
  20     <Real Name="Cell 1 1">17.066209287632123</Real>
  21     <Real Name="Cell 2 0">0.28439471627342355</Real>
  22     <Real Name="Cell 2 1">0.22350643136274215</Real>
  23     <Real Name="Cell 2 2">-37.437308174141137</Real>
  24   </Matrix>
  25 </ReferenceData>