src/gromacs/listed_forces/tests/refdata/Angle_ListedForcesTest_Ifunc_29.xml

   1 <?xml version="1.0"?>
   2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
   3 <ReferenceData>
   4   <FunctionType Name="UREY_BRADLEY">
   5     <FEP Name="Yes">
   6       <Lambda Name="0">
   7         <Real Name="Epot ">1.7147285974892934</Real>
   8         <Real Name="dVdlambda ">3.1458750861016678</Real>
   9         <Sequence Name="Forces">
  10           <Int Name="Length">4</Int>
  11           <Vector>
  12             <Real Name="X">19.175465666090986</Real>
  13             <Real Name="Y">-52.929798754530239</Real>
  14             <Real Name="Z">10.224721594730292</Real>
  15           </Vector>
  16           <Vector>
  17             <Real Name="X">-104.08729579530265</Real>
  18             <Real Name="Y">81.265027972178103</Real>
  19             <Real Name="Z">60.756607017001606</Real>
  20           </Vector>
  21           <Vector>
  22             <Real Name="X">104.28216548018806</Real>
  23             <Real Name="Y">-80.92078244590418</Real>
  24             <Real Name="Z">-60.479292620714901</Real>
  25           </Vector>
  26           <Vector>
  27             <Real Name="X">-19.37033535097639</Real>
  28             <Real Name="Y">52.585553228256309</Real>
  29             <Real Name="Z">-10.502035991016992</Real>
  30           </Vector>
  31         </Sequence>
  32         <Shift-Forces Name="Shift-forces">
  33           <Vector Name="Central">
  34             <Real Name="X">0</Real>
  35             <Real Name="Y">-1.4210854715202004e-14</Real>
  36             <Real Name="Z">0</Real>
  37           </Vector>
  38         </Shift-Forces>
  39       </Lambda>
  40       <Lambda Name="0.5">
  41         <Real Name="Epot ">3.6734872407379098</Real>
  42         <Real Name="dVdlambda ">4.7045903578821218</Real>
  43         <Sequence Name="Forces">
  44           <Int Name="Length">4</Int>
  45           <Vector>
  46             <Real Name="X">28.374501758016958</Real>
  47             <Real Name="Y">-78.332432128435954</Real>
  48             <Real Name="Z">15.135926831141166</Real>
  49           </Vector>
  50           <Vector>
  51             <Real Name="X">-154.11204662112686</Real>
  52             <Real Name="Y">120.28053932841141</Real>
  53             <Real Name="Z">89.977812847919594</Real>
  54           </Vector>
  55           <Vector>
  56             <Real Name="X">154.43427402478312</Real>
  57             <Real Name="Y">-119.86407671489739</Real>
  58             <Real Name="Z">-89.548582729240934</Real>
  59           </Vector>
  60           <Vector>
  61             <Real Name="X">-28.696729161673257</Real>
  62             <Real Name="Y">77.915969514921926</Real>
  63             <Real Name="Z">-15.56515694981983</Real>
  64           </Vector>
  65         </Sequence>
  66         <Shift-Forces Name="Shift-forces">
  67           <Vector Name="Central">
  68             <Real Name="X">0</Real>
  69             <Real Name="Y">0</Real>
  70             <Real Name="Z">-3.5527136788005009e-15</Real>
  71           </Vector>
  72         </Shift-Forces>
  73       </Lambda>
  74       <Lambda Name="1">
  75         <Real Name="Epot ">6.4347498263607488</Real>
  76         <Real Name="dVdlambda ">6.3558908555985836</Real>
  77         <Sequence Name="Forces">
  78           <Int Name="Length">4</Int>
  79           <Vector>
  80             <Real Name="X">37.960515004366712</Real>
  81             <Real Name="Y">-104.7790828252223</Real>
  82             <Real Name="Z">20.239629981917307</Real>
  83           </Vector>
  84           <Vector>
  85             <Real Name="X">-206.20554896757238</Real>
  86             <Real Name="Y">160.92322850343203</Real>
  87             <Real Name="Z">120.39977159637301</Real>
  88           </Vector>
  89           <Vector>
  90             <Real Name="X">206.6606072289612</Real>
  91             <Real Name="Y">-160.43167845591802</Real>
  92             <Real Name="Z">-119.8121671272232</Real>
  93           </Vector>
  94           <Vector>
  95             <Real Name="X">-38.415573265755512</Real>
  96             <Real Name="Y">104.28753277770829</Real>
  97             <Real Name="Z">-20.827234451067117</Real>
  98           </Vector>
  99         </Sequence>
 100         <Shift-Forces Name="Shift-forces">
 101           <Vector Name="Central">
 102             <Real Name="X">7.1054273576010019e-15</Real>
 103             <Real Name="Y">-1.4210854715202004e-14</Real>
 104             <Real Name="Z">0</Real>
 105           </Vector>
 106         </Shift-Forces>
 107       </Lambda>
 108     </FEP>
 109   </FunctionType>
 110 </ReferenceData>