src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_18.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="IDIHS">
   5     <FEP Name="No">
   6       <Real Name="Epot ">2.0157872883163246</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Vector Name="Central shift forces">
   9         <Real Name="X">2.8421709430404007e-14</Real>
  10         <Real Name="Y">-7.9936057773011271e-14</Real>
  11         <Real Name="Z">0</Real>
  12       </Vector>
  13       <Sequence Name="Forces">
  14         <Int Name="Length">4</Int>
  15         <Vector>
  16           <Real Name="X">0</Real>
  17           <Real Name="Y">-1421.557862535717</Real>
  18           <Real Name="Z">0</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">139.34149339327701</Real>
  22           <Real Name="Y">-1399.1402341101584</Real>
  23           <Real Name="Z">6.9670746696638499</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">-279.45167105301641</Real>
  27           <Real Name="Y">2805.285977103304</Real>
  28           <Real Name="Z">-13.972583552650821</Real>
  29         </Vector>
  30         <Vector>
  31           <Real Name="X">140.11017765973943</Real>
  32           <Real Name="Y">15.412119542571338</Real>
  33           <Real Name="Z">7.0055088829869714</Real>
  34         </Vector>
  35       </Sequence>
  36     </FEP>
  37   </FunctionType>
  38 </ReferenceData>