src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_54.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="CROSS_BOND_BOND">
   5     <FEP Name="No">
   6       <Real Name="Epot ">33.784707563986871</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Vector Name="Central shift forces">
   9         <Real Name="X">-2.2204460492503131e-16</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">0</Real>
  17           <Real Name="Y">0</Real>
  18           <Real Name="Z">-26.994378511237318</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">-2.6032636506721332</Real>
  22           <Real Name="Y">0</Real>
  23           <Real Name="Z">79.059651524679992</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">3.9382560146035517</Real>
  27           <Real Name="Y">-22.249872732190312</Real>
  28           <Real Name="Z">-29.815400281252355</Real>
  29         </Vector>
  30         <Vector>
  31           <Real Name="X">-1.3349923639314185</Real>
  32           <Real Name="Y">22.249872732190312</Real>
  33           <Real Name="Z">-22.249872732190312</Real>
  34         </Vector>
  35       </Sequence>
  36     </FEP>
  37   </FunctionType>
  38 </ReferenceData>