src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_22.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="CROSS_BOND_ANGLE">
   5     <FEP Name="No">
   6       <Real Name="Epot ">5.1308089417545393</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">20.584931942381417</Real>
  12           <Real Name="Y">32.355853840934138</Real>
  13           <Real Name="Z">-40.148174152833434</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">17.87663205823797</Real>
  17           <Real Name="Y">36.040483488546009</Real>
  18           <Real Name="Z">-38.423453140139706</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">-17.410004405747234</Real>
  22           <Real Name="Y">-35.798131680050822</Real>
  23           <Real Name="Z">38.856054332922668</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">-21.051559594872153</Real>
  27           <Real Name="Y">-32.598205649429325</Real>
  28           <Real Name="Z">39.715572960050473</Real>
  29         </Vector>
  30       </Sequence>
  31       <Shift-Forces Name="Shift-forces">
  32         <Vector Name="Central">
  33           <Real Name="X">0</Real>
  34           <Real Name="Y">0</Real>
  35           <Real Name="Z">0</Real>
  36         </Vector>
  37       </Shift-Forces>
  38     </FEP>
  39   </FunctionType>
  40 </ReferenceData>