src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_16.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="RBDIHS">
   5     <FEP Name="No">
   6       <Real Name="Epot ">11.639514545574741</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">-4.7072544576011417</Real>
  12           <Real Name="Y">-2.5719950956688526</Real>
  13           <Real Name="Z">-4.4863213294480584</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">4.7503836552262388</Real>
  17           <Real Name="Y">2.5610821788901994</Real>
  18           <Real Name="Z">4.4569259447831095</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">4.5550723669565087</Real>
  22           <Real Name="Y">2.6189869334285065</Real>
  23           <Real Name="Z">4.6073942364654261</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">-4.5982015645816068</Real>
  27           <Real Name="Y">-2.6080740166498537</Real>
  28           <Real Name="Z">-4.5779988518004773</Real>
  29         </Vector>
  30       </Sequence>
  31       <Shift-Forces Name="Shift-forces">
  32         <Vector Name="Central">
  33           <Real Name="X">-8.8817841970012523e-16</Real>
  34           <Real Name="Y">-4.4408920985006262e-16</Real>
  35           <Real Name="Z">0</Real>
  36         </Vector>
  37       </Shift-Forces>
  38     </FEP>
  39   </FunctionType>
  40 </ReferenceData>