Tests for listed force potentials.
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Bond_ListedForcesTest_Ifunc_48.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <FunctionType Name="MORSE">
5     <FEP Name="Yes">
6       <Lambda Name="0">
7         <Real Name="Epot ">0.92351740787904968</Real>
8         <Real Name="dVdlambda ">-9.7350909703983373</Real>
9         <Vector Name="Central shift forces">
10           <Real Name="X">0</Real>
11           <Real Name="Y">0</Real>
12           <Real Name="Z">0</Real>
13         </Vector>
14         <Sequence Name="Forces">
15           <Int Name="Length">4</Int>
16           <Vector>
17             <Real Name="X">0</Real>
18             <Real Name="Y">0</Real>
19             <Real Name="Z">0</Real>
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23             <Real Name="Y">-16.81899727754282</Real>
24             <Real Name="Z">-16.81899727754282</Real>
25           </Vector>
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28             <Real Name="Y">-1.2257633858275341</Real>
29             <Real Name="Z">16.81899727754282</Real>
30           </Vector>
31           <Vector>
32             <Real Name="X">0</Real>
33             <Real Name="Y">18.044760663370354</Real>
34             <Real Name="Z">0</Real>
35           </Vector>
36         </Sequence>
37       </Lambda>
38       <Lambda Name="0.5">
39         <Real Name="Epot ">1.0201396410270318</Real>
40         <Real Name="dVdlambda ">0.11015590024489808</Real>
41         <Vector Name="Central shift forces">
42           <Real Name="X">0</Real>
43           <Real Name="Y">0</Real>
44           <Real Name="Z">0</Real>
45         </Vector>
46         <Sequence Name="Forces">
47           <Int Name="Length">4</Int>
48           <Vector>
49             <Real Name="X">0</Real>
50             <Real Name="Y">0</Real>
51             <Real Name="Z">-2.9958449563830434</Real>
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56             <Real Name="Z">-11.842679361791566</Real>
57           </Vector>
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60             <Real Name="Y">-1.8544545473145675</Real>
61             <Real Name="Z">14.83852431817461</Real>
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65             <Real Name="Y">16.692978865489177</Real>
66             <Real Name="Z">0</Real>
67           </Vector>
68         </Sequence>
69       </Lambda>
70       <Lambda Name="1">
71         <Real Name="Epot ">1.0273994854040518</Real>
72         <Real Name="dVdlambda ">-0.082605535564520938</Real>
73         <Vector Name="Central shift forces">
74           <Real Name="X">0</Real>
75           <Real Name="Y">0</Real>
76           <Real Name="Z">0</Real>
77         </Vector>
78         <Sequence Name="Forces">
79           <Int Name="Length">4</Int>
80           <Vector>
81             <Real Name="X">0</Real>
82             <Real Name="Y">0</Real>
83             <Real Name="Z">-4.2975863624175306</Real>
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86             <Real Name="X">0</Real>
87             <Real Name="Y">-12.199633142054745</Real>
88             <Real Name="Z">-7.9020467796372147</Real>
89           </Vector>
90           <Vector>
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92             <Real Name="Y">-1.9970328382232463</Real>
93             <Real Name="Z">12.199633142054745</Real>
94           </Vector>
95           <Vector>
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97             <Real Name="Y">14.196665980277992</Real>
98             <Real Name="Z">0</Real>
99           </Vector>
100         </Sequence>
101       </Lambda>
102     </FEP>
103   </FunctionType>
104 </ReferenceData>