Fix bonded tests
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Dihedral_ListedForcesTest_Ifunc_13.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <FunctionType Name="RBDIHS">
5     <FEP Name="Yes">
6       <Lambda Name="0">
7         <Real Name="Epot ">12.640397608567275</Real>
8         <Real Name="dVdlambda ">7.2925381469254464</Real>
9         <Sequence Name="Forces">
10           <Int Name="Length">4</Int>
11           <Vector>
12             <Real Name="X">-4.3107846237948211</Real>
13             <Real Name="Y">-2.3553680836143229</Real>
14             <Real Name="Z">-4.1084596506480429</Real>
15           </Vector>
16           <Vector>
17             <Real Name="X">4.350281252590543</Real>
18             <Real Name="Y">2.3453743103280273</Real>
19             <Real Name="Z">4.0815401005439309</Real>
20           </Vector>
21           <Vector>
22             <Real Name="X">4.1714201126393853</Real>
23             <Real Name="Y">2.3984020205902752</Real>
24             <Real Name="Z">4.2193351579378255</Real>
25           </Vector>
26           <Vector>
27             <Real Name="X">-4.2109167414351072</Real>
28             <Real Name="Y">-2.3884082473039796</Real>
29             <Real Name="Z">-4.1924156078337136</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">0</Real>
36             <Real Name="Z">0</Real>
37           </Vector>
38         </Shift-Forces>
39       </Lambda>
40       <Lambda Name="0.5">
41         <Real Name="Epot ">16.286666682030003</Real>
42         <Real Name="dVdlambda ">7.2925381469254464</Real>
43         <Sequence Name="Forces">
44           <Int Name="Length">4</Int>
45           <Vector>
46             <Real Name="X">-5.9858565628887783</Real>
47             <Real Name="Y">-3.2706100470661372</Real>
48             <Real Name="Z">-5.7049127500937882</Real>
49           </Vector>
50           <Vector>
51             <Real Name="X">6.0407006748826468</Real>
52             <Real Name="Y">3.2567329229148649</Real>
53             <Real Name="Z">5.6675328808302528</Real>
54           </Vector>
55           <Vector>
56             <Real Name="X">5.7923382021873842</Real>
57             <Real Name="Y">3.330365983990605</Real>
58             <Real Name="Z">5.8588719340694215</Real>
59           </Vector>
60           <Vector>
61             <Real Name="X">-5.8471823141812536</Real>
62             <Real Name="Y">-3.3164888598393327</Real>
63             <Real Name="Z">-5.821492064805887</Real>
64           </Vector>
65         </Sequence>
66         <Shift-Forces Name="Shift-forces">
67           <Vector Name="Central">
68             <Real Name="X">-8.8817841970012523e-16</Real>
69             <Real Name="Y">0</Real>
70             <Real Name="Z">-8.8817841970012523e-16</Real>
71           </Vector>
72         </Shift-Forces>
73       </Lambda>
74       <Lambda Name="1">
75         <Real Name="Epot ">19.932935755492721</Real>
76         <Real Name="dVdlambda ">7.2925381469254464</Real>
77         <Sequence Name="Forces">
78           <Int Name="Length">4</Int>
79           <Vector>
80             <Real Name="X">-7.6609285019827373</Real>
81             <Real Name="Y">-4.1858520105179524</Real>
82             <Real Name="Z">-7.3013658495395344</Real>
83           </Vector>
84           <Vector>
85             <Real Name="X">7.7311200971747542</Real>
86             <Real Name="Y">4.1680915355017039</Real>
87             <Real Name="Z">7.2535256611165755</Real>
88           </Vector>
89           <Vector>
90             <Real Name="X">7.4132562917353839</Real>
91             <Real Name="Y">4.2623299473909348</Real>
92             <Real Name="Z">7.4984087102010202</Real>
93           </Vector>
94           <Vector>
95             <Real Name="X">-7.4834478869274008</Real>
96             <Real Name="Y">-4.2445694723746863</Real>
97             <Real Name="Z">-7.4505685217780613</Real>
98           </Vector>
99         </Sequence>
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">0</Real>
105           </Vector>
106         </Shift-Forces>
107       </Lambda>
108     </FEP>
109   </FunctionType>
110 </ReferenceData>