Fix bonded tests
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Dihedral_ListedForcesTest_Ifunc_9.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
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5     <FEP Name="Yes">
6       <Lambda Name="0">
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8         <Real Name="dVdlambda ">-13.654877733406769</Real>
9         <Sequence Name="Forces">
10           <Int Name="Length">4</Int>
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28             <Real Name="Y">184.96264361082115</Real>
29             <Real Name="Z">324.66822822919966</Real>
30           </Vector>
31         </Sequence>
32         <Shift-Forces Name="Shift-forces">
33           <Vector Name="Central">
34             <Real Name="X">-5.6843418860808015e-14</Real>
35             <Real Name="Y">0</Real>
36             <Real Name="Z">0</Real>
37           </Vector>
38         </Shift-Forces>
39       </Lambda>
40       <Lambda Name="0.5">
41         <Real Name="Epot ">42.608885742842801</Real>
42         <Real Name="dVdlambda ">-16.056613828279609</Real>
43         <Sequence Name="Forces">
44           <Int Name="Length">4</Int>
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47             <Real Name="Y">150.55897877273455</Real>
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64           </Vector>
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67           <Vector Name="Central">
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69             <Real Name="Y">0</Real>
70             <Real Name="Z">0</Real>
71           </Vector>
72         </Shift-Forces>
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74       <Lambda Name="1">
75         <Real Name="Epot ">33.954897256496345</Real>
76         <Real Name="dVdlambda ">-18.579538155896831</Real>
77         <Sequence Name="Forces">
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81             <Real Name="Y">116.39609592304282</Real>
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100         <Shift-Forces Name="Shift-forces">
101           <Vector Name="Central">
102             <Real Name="X">0</Real>
103             <Real Name="Y">0</Real>
104             <Real Name="Z">2.8421709430404007e-14</Real>
105           </Vector>
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108     </FEP>
109   </FunctionType>
110 </ReferenceData>