src/gromacs/listed_forces/tests/refdata/Polarize_ListedForcesTest_Ifunc_26.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="THOLE">
   5     <FEP Name="No">
   6       <Real Name="Epot ">-0.03655227784541637</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Vector Name="Central shift forces">
   9         <Real Name="X">0</Real>
  10         <Real Name="Y">0</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">-1.2610253727690961</Real>
  17           <Real Name="Y">1.5333660282533563</Real>
  18           <Real Name="Z">0</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">1.3353509530030405</Real>
  22           <Real Name="Y">-1.5916299341994047</Real>
  23           <Real Name="Z">0</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">1.0035104595969497</Real>
  27           <Real Name="Y">0.68555613738131305</Real>
  28           <Real Name="Z">0</Real>
  29         </Vector>
  30         <Vector>
  31           <Real Name="X">-1.0778360398308942</Real>
  32           <Real Name="Y">-0.62729223143526469</Real>
  33           <Real Name="Z">0</Real>
  34         </Vector>
  35       </Sequence>
  36     </FEP>
  37   </FunctionType>
  38 </ReferenceData>