src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_25.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="UREY_BRADLEY">
   5     <FEP Name="No">
   6       <Real Name="Epot ">9860.1743948700041</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">-1465.5870841179496</Real>
  12           <Real Name="Y">4074.7982980216202</Real>
  13           <Real Name="Z">-798.30882378528554</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">8010.9417951651058</Real>
  17           <Real Name="Y">-6232.0682469665298</Real>
  18           <Real Name="Z">-4688.3343455315126</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">-8031.5108745884772</Real>
  22           <Real Name="Y">6221.5266115090999</Real>
  23           <Real Name="Z">4663.9613111201325</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">1486.1561635413213</Real>
  27           <Real Name="Y">-4064.2566625641912</Real>
  28           <Real Name="Z">822.68185819666553</Real>
  29         </Vector>
  30       </Sequence>
  31       <Shift-Forces Name="Shift-forces">
  32         <Vector Name="Central">
  33           <Real Name="X">4.5474735088646412e-13</Real>
  34           <Real Name="Y">4.5474735088646412e-13</Real>
  35           <Real Name="Z">0</Real>
  36         </Vector>
  37       </Shift-Forces>
  38     </FEP>
  39   </FunctionType>
  40 </ReferenceData>