src/gromacs/listed_forces/tests/refdata/AngleZero_ListedForcesTest_Ifunc_1.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="ANGLES">
   5     <FEP Name="No">
   6       <Real Name="Epot ">84.797965428018102</Real>
   7       <Real Name="dVdlambda ">0</Real>
   8       <Sequence Name="Forces">
   9         <Int Name="Length">4</Int>
  10         <Vector>
  11           <Real Name="X">0</Real>
  12           <Real Name="Y">0</Real>
  13           <Real Name="Z">0</Real>
  14         </Vector>
  15         <Vector>
  16           <Real Name="X">861.88775797312974</Real>
  17           <Real Name="Y">318.05244565695551</Real>
  18           <Real Name="Z">-43.094387898656521</Real>
  19         </Vector>
  20         <Vector>
  21           <Real Name="X">-896.43676003712528</Real>
  22           <Real Name="Y">-333.82837010100394</Real>
  23           <Real Name="Z">209.27290807871069</Real>
  24         </Vector>
  25         <Vector>
  26           <Real Name="X">34.549002063995523</Real>
  27           <Real Name="Y">15.775924444048426</Real>
  28           <Real Name="Z">-166.17852018005416</Real>
  29         </Vector>
  30       </Sequence>
  31       <Shift-Forces Name="Shift-forces">
  32         <Vector Name="Central">
  33           <Real Name="X">-2.1316282072803006e-14</Real>
  34           <Real Name="Y">-1.7763568394002505e-15</Real>
  35           <Real Name="Z">0</Real>
  36         </Vector>
  37       </Shift-Forces>
  38     </FEP>
  39   </FunctionType>
  40 </ReferenceData>