src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_6.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="G96ANGLES">
   5     <FEP Name="No">
   6       <Real Name="Epot ">503614.15820294252</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">10184.071777974661</Real>
  12           <Real Name="Y">-28312.324569100543</Real>
  13           <Real Name="Z">5545.7781193687024</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">-55667.901908388834</Real>
  17           <Real Name="Y">43305.589268243166</Real>
  18           <Real Name="Z">32579.585988349259</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">55813.225064922604</Real>
  22           <Real Name="Y">-43238.857959217843</Real>
  23           <Real Name="Z">-32408.901792064011</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">-10329.394934508422</Real>
  27           <Real Name="Y">28245.593260075217</Real>
  28           <Real Name="Z">-5716.4623156539474</Real>
  29         </Vector>
  30       </Sequence>
  31       <Shift-Forces Name="Shift-forces">
  32         <Vector Name="Central">
  33           <Real Name="X">7.2759576141834259e-12</Real>
  34           <Real Name="Y">-3.637978807091713e-12</Real>
  35           <Real Name="Z">0</Real>
  36         </Vector>
  37       </Shift-Forces>
  38     </FEP>
  39   </FunctionType>
  40 </ReferenceData>