src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_1.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="POLARIZATION">
   5     <FEP Name="No">
   6       <Real Name="Epot ">98.15370381713953</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">-467.74937406941916</Real>
  12           <Real Name="Y">-64.836546900711639</Real>
  13           <Real Name="Z">527.95473904865196</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">496.40481220857328</Real>
  17           <Real Name="Y">-292.05390992329461</Real>
  18           <Real Name="Z">-353.41707038289724</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">-147.90837261724857</Real>
  22           <Real Name="Y">339.52352461845862</Real>
  23           <Real Name="Z">-44.864574864331729</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">119.25293447809449</Real>
  27           <Real Name="Y">17.366932205547631</Real>
  28           <Real Name="Z">-129.67309380142302</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>