src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_32.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="QANGLES">
   5     <FEP Name="No">
   6       <Real Name="Epot ">7.5210130971673355</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">28.524143507898081</Real>
  12           <Real Name="Y">-79.298813545069052</Real>
  13           <Real Name="Z">15.532939514620491</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">-155.72190328955071</Real>
  17           <Real Name="Y">121.22983234034247</Real>
  18           <Real Name="Z">91.089820672702785</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">156.0407471820595</Real>
  22           <Real Name="Y">-120.8017847677953</Real>
  23           <Real Name="Z">-90.660561860054628</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">-28.842987400406862</Real>
  27           <Real Name="Y">78.87076597252188</Real>
  28           <Real Name="Z">-15.962198327268641</Real>
  29         </Vector>
  30       </Sequence>
  31       <Shift-Forces Name="Shift-forces">
  32         <Vector Name="Central">
  33           <Real Name="X">7.1054273576010019e-15</Real>
  34           <Real Name="Y">0</Real>
  35           <Real Name="Z">1.0658141036401503e-14</Real>
  36         </Vector>
  37       </Shift-Forces>
  38     </FEP>
  39   </FunctionType>
  40 </ReferenceData>