src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_4.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="ANGLES">
   5     <FEP Name="Yes">
   6       <Lambda Name="0">
   7         <Real Name="Epot ">1.8420009529166703</Real>
   8         <Real Name="dVdlambda ">0.98841649194105452</Real>
   9         <Sequence Name="Forces">
  10           <Int Name="Length">4</Int>
  11           <Vector>
  12             <Real Name="X">20.926691599045498</Real>
  13             <Real Name="Y">-58.177445880833616</Real>
  14             <Real Name="Z">11.395715869929145</Real>
  15           </Vector>
  16           <Vector>
  17             <Real Name="X">-114.19236766425828</Real>
  18             <Real Name="Y">88.923115812722017</Real>
  19             <Real Name="Z">66.784570956728587</Real>
  20           </Vector>
  21           <Vector>
  22             <Real Name="X">114.4025527585371</Real>
  23             <Real Name="Y">-88.544178523467849</Real>
  24             <Real Name="Z">-66.482780839704887</Real>
  25           </Vector>
  26           <Vector>
  27             <Real Name="X">-21.136876693324318</Real>
  28             <Real Name="Y">57.798508591579449</Real>
  29             <Real Name="Z">-11.697505986952844</Real>
  30           </Vector>
  31         </Sequence>
  32         <Shift-Forces Name="Shift-forces">
  33           <Vector Name="Central">
  34             <Real Name="X">-7.1054273576010019e-15</Real>
  35             <Real Name="Y">-7.1054273576010019e-15</Real>
  36             <Real Name="Z">0</Real>
  37           </Vector>
  38         </Shift-Forces>
  39       </Lambda>
  40       <Lambda Name="0.5">
  41         <Real Name="Epot ">2.2444796667393527</Real>
  42         <Real Name="dVdlambda ">0.58110228576821976</Real>
  43         <Sequence Name="Forces">
  44           <Int Name="Length">4</Int>
  45           <Vector>
  46             <Real Name="X">20.653737894841058</Real>
  47             <Real Name="Y">-57.418618367216929</Real>
  48             <Real Name="Z">11.247077809104457</Real>
  49           </Vector>
  50           <Vector>
  51             <Real Name="X">-112.73717904544873</Real>
  52             <Real Name="Y">87.774272811412487</Real>
  53             <Real Name="Z">65.941616392559609</Real>
  54           </Vector>
  55           <Vector>
  56             <Real Name="X">112.96003627549626</Real>
  57             <Real Name="Y">-87.442426543778907</Real>
  58             <Real Name="Z">-65.63523244836243</Real>
  59           </Vector>
  60           <Vector>
  61             <Real Name="X">-20.876595124888606</Real>
  62             <Real Name="Y">57.086772099583349</Real>
  63             <Real Name="Z">-11.553461753301633</Real>
  64           </Vector>
  65         </Sequence>
  66         <Shift-Forces Name="Shift-forces">
  67           <Vector Name="Central">
  68             <Real Name="X">-1.0658141036401503e-14</Real>
  69             <Real Name="Y">-7.1054273576010019e-15</Real>
  70             <Real Name="Z">0</Real>
  71           </Vector>
  72         </Shift-Forces>
  73       </Lambda>
  74       <Lambda Name="1">
  75         <Real Name="Epot ">2.3827071611034247</Real>
  76         <Real Name="dVdlambda ">-0.068588385893404769</Real>
  77         <Sequence Name="Forces">
  78           <Int Name="Length">4</Int>
  79           <Vector>
  80             <Real Name="X">18.424591882834299</Real>
  81             <Real Name="Y">-51.221460022325253</Real>
  82             <Real Name="Z">10.033187191699204</Real>
  83           </Vector>
  84           <Vector>
  85             <Real Name="X">-100.59034796961816</Real>
  86             <Real Name="Y">78.307539729485569</Real>
  87             <Real Name="Z">58.841682014802281</Real>
  88           </Vector>
  89           <Vector>
  90             <Real Name="X">100.7985227581222</Real>
  91             <Real Name="Y">-78.037132701587694</Real>
  92             <Real Name="Z">-58.563180168720741</Real>
  93           </Vector>
  94           <Vector>
  95             <Real Name="X">-18.632766671338334</Real>
  96             <Real Name="Y">50.951052994427378</Real>
  97             <Real Name="Z">-10.311689037780745</Real>
  98           </Vector>
  99         </Sequence>
 100         <Shift-Forces Name="Shift-forces">
 101           <Vector Name="Central">
 102             <Real Name="X">3.5527136788005009e-15</Real>
 103             <Real Name="Y">-7.1054273576010019e-15</Real>
 104             <Real Name="Z">0</Real>
 105           </Vector>
 106         </Shift-Forces>
 107       </Lambda>
 108     </FEP>
 109   </FunctionType>
 110 </ReferenceData>