src/gromacs/listed_forces/tests/refdata/Dihedral_ListedForcesTest_Ifunc_8.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="IDIHS">
   5     <FEP Name="No">
   6       <Real Name="Epot ">50.217059283953283</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">334.45273815414413</Real>
  12           <Real Name="Y">182.74151312904567</Real>
  13           <Real Name="Z">318.75533102960662</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">-337.51708880058356</Real>
  17           <Real Name="Y">-181.96614503905957</Real>
  18           <Real Name="Z">-316.66677453051807</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">-323.64012596745198</Real>
  22           <Real Name="Y">-186.08030625169764</Real>
  23           <Real Name="Z">-327.35762046030732</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">326.70447661389142</Real>
  27           <Real Name="Y">185.30493816171153</Real>
  28           <Real Name="Z">325.26906396121876</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>