src/gromacs/ewald/tests/refdata/Pme_SolveTest_WorksWith_box_tric_grid_9_7_23_gridvalues_first_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 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">0.82352502718481191</Real>
   8     <Real Name="Cell 3 1 2 im">10.843079224630545</Real>
   9     <Real Name="Cell 3 5 7 re">-0.0058552916125842258</Real>
  10     <Real Name="Cell 3 5 7 im">9.7588192101710891e-09</Real>
  11     <Real Name="Cell 6 2 4 re">24.162018324517817</Real>
  12     <Real Name="Cell 6 2 4 im">1.9666759234875795</Real>
  13     <Real Name="Cell 7 0 0 re">-4.5620086475421502</Real>
  14     <Real Name="Cell 7 0 0 im">-1.2773623995584495</Real>
  15   </NonZeroGridValues>
  16   <Real Name="Energy">824.39918160940044</Real>
  17   <Matrix Name="Virial">
  18     <Real Name="Cell 0 0">271.10568079733889</Real>
  19     <Real Name="Cell 1 0">-592.09989481009313</Real>
  20     <Real Name="Cell 1 1">362.90453480067828</Real>
  21     <Real Name="Cell 2 0">-496.93337181590238</Real>
  22     <Real Name="Cell 2 1">563.77003583036549</Real>
  23     <Real Name="Cell 2 2">16.869408831566535</Real>
  24   </Matrix>
  25 </ReferenceData>