src/gromacs/listed_forces/tests/refdata/14Interaction_ListedForcesPairsTest_Ifunc_3.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="LJ14">
   5     <FEP Name="No">
   6       <Real Name="Epot Coulomb14">0.2140727122061484</Real>
   7       <Real Name="Epot LJ14">-0.39771349695163671</Real>
   8       <Real Name="dVdlCoul ">0</Real>
   9       <Real Name="dVdlVdw ">0</Real>
  10       <Sequence Name="Forces">
  11         <Int Name="Length">3</Int>
  12         <Vector>
  13           <Real Name="X">0.030442842705220907</Real>
  14           <Real Name="Y">0.033210373860240984</Real>
  15           <Real Name="Z">0.035977905015261075</Real>
  16         </Vector>
  17         <Vector>
  18           <Real Name="X">0.89301764058624677</Real>
  19           <Real Name="Y">1.7860352811724916</Real>
  20           <Real Name="Z">2.6790529217587382</Real>
  21         </Vector>
  22         <Vector>
  23           <Real Name="X">-0.92346048329146768</Real>
  24           <Real Name="Y">-1.8192456550327325</Real>
  25           <Real Name="Z">-2.7150308267739991</Real>
  26         </Vector>
  27       </Sequence>
  28       <Shift-Forces Name="Shift-forces">
  29         <Vector Name="Central">
  30           <Real Name="X">0</Real>
  31           <Real Name="Y">0</Real>
  32           <Real Name="Z">0</Real>
  33         </Vector>
  34       </Shift-Forces>
  35     </FEP>
  36   </FunctionType>
  37 </ReferenceData>