src/gromacs/ewald/tests/refdata/PmeDiffEps_SolveTest_WorksWith_box_rect_grid_9_7_23_gridvalues_first_eps_1_9_ewaldq_2_ewaldlj_0_7_method_LJ.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">-0.040960646891504318</Real>
   6     <Real Name="Cell 0 0 0 im">-0.078410378960130159</Real>
   7     <Real Name="Cell 3 1 2 re">-4.1343810365053865e-14</Real>
   8     <Real Name="Cell 3 1 2 im">-5.4436015474703515e-13</Real>
   9     <Real Name="Cell 7 0 0 re">0.0073924880067034026</Real>
  10     <Real Name="Cell 7 0 0 im">0.0020698966066268229</Real>
  11   </NonZeroGridValues>
  12   <Real Name="Energy">-0.3443209679114585</Real>
  13   <Matrix Name="Virial">
  14     <Real Name="Cell 0 0">0.15510734808993293</Real>
  15     <Real Name="Cell 1 0">-9.9639879528132092e-12</Real>
  16     <Real Name="Cell 1 1">0.17216048394791436</Real>
  17     <Real Name="Cell 2 0">-3.3877559989804848e-11</Real>
  18     <Real Name="Cell 2 1">-2.6570634540835225e-11</Real>
  19     <Real Name="Cell 2 2">0.1721604838653891</Real>
  20   </Matrix>
  21 </ReferenceData>