Fix bonded tests
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Bond_ListedForcesTest_Ifunc_4.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <FunctionType Name="BONDS">
5     <FEP Name="Yes">
6       <Lambda Name="0">
7         <Real Name="Epot ">0.006378093805285345</Real>
8         <Real Name="dVdlambda ">-0.08875853958701857</Real>
9         <Sequence Name="Forces">
10           <Int Name="Length">4</Int>
11           <Vector>
12             <Real Name="X">-0.97326747891234378</Real>
13             <Real Name="Y">-0.13490836341359236</Real>
14             <Real Name="Z">1.0985395306535377</Real>
15           </Vector>
16           <Vector>
17             <Real Name="X">1.0776521097102301</Real>
18             <Real Name="Y">-1.1651547656146142</Real>
19             <Real Name="Z">-0.46274223397551018</Real>
20           </Vector>
21           <Vector>
22             <Real Name="X">-1.0807238088737079</Real>
23             <Real Name="Y">1.1578778118326993</Real>
24             <Real Name="Z">0.42585307171509801</Real>
25           </Vector>
26           <Vector>
27             <Real Name="X">0.9763391780758216</Real>
28             <Real Name="Y">0.14218531719550712</Real>
29             <Real Name="Z">-1.0616503683931255</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 ">0.033872970053074256</Real>
42         <Real Name="dVdlambda ">0.18373804457817416</Real>
43         <Sequence Name="Forces">
44           <Int Name="Length">4</Int>
45           <Vector>
46             <Real Name="X">2.0956632202441519</Real>
47             <Real Name="Y">0.29048797112295205</Real>
48             <Real Name="Z">-2.3654020505726097</Real>
49           </Vector>
50           <Vector>
51             <Real Name="X">-2.3254539746781848</Real>
52             <Real Name="Y">2.571451425009974</Real>
53             <Real Name="Z">0.96576745538351583</Real>
54           </Vector>
55           <Vector>
56             <Real Name="X">2.3825051434812465</Real>
57             <Real Name="Y">-2.5484373006406154</Real>
58             <Real Name="Z">-0.94118105115350525</Real>
59           </Vector>
60           <Vector>
61             <Real Name="X">-2.1527143890472136</Real>
62             <Real Name="Y">-0.31350209549231067</Real>
63             <Real Name="Z">2.3408156463425991</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 ">0.17511613838345949</Real>
76         <Real Name="dVdlambda ">0.36623462874336671</Real>
77         <Sequence Name="Forces">
78           <Int Name="Length">4</Int>
79           <Vector>
80             <Real Name="X">4.5042374857861454</Real>
81             <Real Name="Y">0.62434975050501096</Real>
82             <Real Name="Z">-5.0839908255408028</Real>
83           </Vector>
84           <Vector>
85             <Real Name="X">-4.9962620871960688</Real>
86             <Real Name="Y">5.5035930125094232</Real>
87             <Real Name="Z">2.0871137078622137</Real>
88           </Vector>
89           <Vector>
90             <Real Name="X">5.1001437466211827</Real>
91             <Real Name="Y">-5.4568574506050318</Real>
92             <Real Name="Z">-2.0138932149783093</Real>
93           </Vector>
94           <Vector>
95             <Real Name="X">-4.6081191452112593</Real>
96             <Real Name="Y">-0.67108531240940239</Real>
97             <Real Name="Z">5.0107703326568984</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>