src/gromacs/ewald/tests/refdata/SaneInput_PmeSolveTest_ReproducesOutputs_7.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">-3.36295522544755e-10</Real>
   6   </NonZeroGridValues>
   7   <Real Name="Energy">-5.0444330386190764e-11</Real>
   8   <Matrix Name="Virial">
   9     <Real Name="Cell 0 0">2.5222165193095382e-11</Real>
  10     <Real Name="Cell 1 0">-2.2495184669680253e-111</Real>
  11     <Real Name="Cell 1 1">-8.0991543667196338e-10</Real>
  12     <Real Name="Cell 2 0">-1.3384635253888647e-110</Real>
  13     <Real Name="Cell 2 1">8.1762240348126863e-110</Real>
  14     <Real Name="Cell 2 2">2.5222165193095382e-11</Real>
  15   </Matrix>
  16 </ReferenceData>