src/gromacs/ewald/tests/refdata/PmeDiffEwaldQ_SolveTest_WorksWith_box_tric_grid_9_7_23_gridvalues_second_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 4 0 im">7.9977633026044314e-16</Real>
   6     <Real Name="Cell 0 6 7 re">7.6137551140041787e-12</Real>
   7     <Real Name="Cell 2 5 10 re">5.3786275891144037e-26</Real>
   8     <Real Name="Cell 2 5 10 im">1.5911773136041592e-25</Real>
   9     <Real Name="Cell 4 2 7 re">1.4613142426534972e-16</Real>
  10     <Real Name="Cell 4 2 7 im">-4.2480064486808412e-16</Real>
  11   </NonZeroGridValues>
  12   <Real Name="Energy">2.7428640444993028e-11</Real>
  13   <Matrix Name="Virial">
  14     <Real Name="Cell 0 0">-1.3322349162064784e-11</Real>
  15     <Real Name="Cell 1 0">3.346094495903482e-13</Real>
  16     <Real Name="Cell 1 1">9.0894045969847953e-11</Real>
  17     <Real Name="Cell 2 0">2.2627278057171452e-13</Real>
  18     <Real Name="Cell 2 1">-2.6231426195048951e-10</Real>
  19     <Real Name="Cell 2 2">6.4698667749841046e-10</Real>
  20   </Matrix>
  21 </ReferenceData>