Fix bonded tests
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Bond_ListedForcesTest_Ifunc_10.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <FunctionType Name="G96BONDS">
5     <FEP Name="Yes">
6       <Lambda Name="0">
7         <Real Name="Epot ">0.60119176217500003</Real>
8         <Real Name="dVdlambda ">0.1393732951300003</Real>
9         <Sequence Name="Forces">
10           <Int Name="Length">4</Int>
11           <Vector>
12             <Real Name="X">0.63936534999999972</Real>
13             <Real Name="Y">0.088624900000000062</Real>
14             <Real Name="Z">-0.72165990000000046</Real>
15           </Vector>
16           <Vector>
17             <Real Name="X">-0.70900690000000044</Real>
18             <Real Name="Y">0.77872894999999986</Real>
19             <Real Name="Z">0.29747955000000081</Real>
20           </Vector>
21           <Vector>
22             <Real Name="X">0.72174485000000077</Real>
23             <Real Name="Y">-0.77238735000000058</Real>
24             <Real Name="Z">-0.28490284999999982</Real>
25           </Vector>
26           <Vector>
27             <Real Name="X">-0.65210330000000005</Real>
28             <Real Name="Y">-0.094966499999999412</Real>
29             <Real Name="Z">0.70908319999999947</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 ">0.62991383595750006</Real>
42         <Real Name="dVdlambda ">0.088903295130000309</Real>
43         <Sequence Name="Forces">
44           <Int Name="Length">4</Int>
45           <Vector>
46             <Real Name="X">0.62087881499999975</Real>
47             <Real Name="Y">0.086062410000000061</Real>
48             <Real Name="Z">-0.70079391000000046</Real>
49           </Vector>
50           <Vector>
51             <Real Name="X">-0.68850621000000045</Real>
52             <Real Name="Y">0.75620605500000004</Real>
53             <Real Name="Z">0.28888159500000077</Real>
54           </Vector>
55           <Vector>
56             <Real Name="X">0.70087036500000077</Real>
57             <Real Name="Y">-0.75004861500000064</Real>
58             <Real Name="Z">-0.27666256499999975</Real>
59           </Vector>
60           <Vector>
61             <Real Name="X">-0.63324297000000007</Real>
62             <Real Name="Y">-0.092219849999999423</Real>
63             <Real Name="Z">0.68857487999999945</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">0</Real>
71           </Vector>
72         </Shift-Forces>
73       </Lambda>
74       <Lambda Name="1">
75         <Real Name="Epot ">0.64489340974000009</Real>
76         <Real Name="dVdlambda ">0.029433295130000287</Real>
77         <Sequence Name="Forces">
78           <Int Name="Length">4</Int>
79           <Vector>
80             <Real Name="X">0.59229227999999978</Real>
81             <Real Name="Y">0.082099920000000062</Real>
82             <Real Name="Z">-0.6685279200000005</Real>
83           </Vector>
84           <Vector>
85             <Real Name="X">-0.65680552000000048</Real>
86             <Real Name="Y">0.72138315999999991</Real>
87             <Real Name="Z">0.2755836400000008</Real>
88           </Vector>
89           <Vector>
90             <Real Name="X">0.66859588000000081</Real>
91             <Real Name="Y">-0.7155098800000006</Real>
92             <Real Name="Z">-0.26392227999999984</Real>
93           </Vector>
94           <Vector>
95             <Real Name="X">-0.60408264000000012</Real>
96             <Real Name="Y">-0.08797319999999946</Real>
97             <Real Name="Z">0.65686655999999954</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>