src/gromacs/ewald/tests/refdata/Pme_SolveTest_WorksWith_box_rect_grid_16_12_28_gridvalues_second_eps_1_2_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 4 0 im">0.019308494012818981</Real>
   6     <Real Name="Cell 0 6 7 re">1.1045009418321087e-16</Real>
   7     <Real Name="Cell 2 5 10 re">2.4507459246496453e-29</Real>
   8     <Real Name="Cell 2 5 10 im">7.2501232927941614e-29</Real>
   9     <Real Name="Cell 4 2 7 re">9.0769184595612333e-14</Real>
  10     <Real Name="Cell 4 2 7 im">-2.6386390431910163e-13</Real>
  11   </NonZeroGridValues>
  12   <Real Name="Energy">0.0028962742288143779</Real>
  13   <Matrix Name="Virial">
  14     <Real Name="Cell 0 0">-0.0014481371068964599</Real>
  15     <Real Name="Cell 1 0">8.8361515134990853e-12</Real>
  16     <Real Name="Cell 1 1">0.011339167962617115</Real>
  17     <Real Name="Cell 2 0">5.2575102980011437e-11</Real>
  18     <Real Name="Cell 2 1">6.1846841083207381e-11</Real>
  19     <Real Name="Cell 2 2">-0.0014481367463691326</Real>
  20   </Matrix>
  21 </ReferenceData>