src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_20.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 ">31.861317828672284</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">16.257587884629597</Real>
  12           <Real Name="Y">2.253527033513016</Real>
  13           <Real Name="Z">-18.35014870146313</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">-20.123504115697898</Real>
  17           <Real Name="Y">45.894702389791647</Real>
  18           <Real Name="Z">-5.1967956150435111</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">23.482174294989729</Real>
  22           <Real Name="Y">-45.291492812053988</Real>
  23           <Real Name="Z">2.2166442858348159</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">-19.616258063921428</Real>
  27           <Real Name="Y">-2.8567366112506756</Real>
  28           <Real Name="Z">21.330300030671825</Real>
  29         </Vector>
  30       </Sequence>
  31       <Shift-Forces Name="Shift-forces">
  32         <Vector Name="Central">
  33           <Real Name="X">3.5527136788005009e-15</Real>
  34           <Real Name="Y">-8.8817841970012523e-16</Real>
  35           <Real Name="Z">0</Real>
  36         </Vector>
  37       </Shift-Forces>
  38     </FEP>
  39   </FunctionType>
  40 </ReferenceData>