Tests for listed force potentials.
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Angle_ListedForcesTest_Ifunc_17.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <FunctionType Name="ANGLES">
5     <FEP Name="Yes">
6       <Lambda Name="0">
7         <Real Name="Epot ">47.754363218123274</Real>
8         <Real Name="dVdlambda ">-23.341019125514077</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">75.63262801666059</Real>
18             <Real Name="Y">-120.73756120536734</Real>
19             <Real Name="Z">0</Real>
20           </Vector>
21           <Vector>
22             <Real Name="X">-231.44546404190362</Real>
23             <Real Name="Y">-202.05651342734745</Real>
24             <Real Name="Z">0</Real>
25           </Vector>
26           <Vector>
27             <Real Name="X">-81.250736811532079</Real>
28             <Real Name="Y">122.82602419582639</Real>
29             <Real Name="Z">0</Real>
30           </Vector>
31           <Vector>
32             <Real Name="X">237.06357283677511</Real>
33             <Real Name="Y">199.9680504368884</Real>
34             <Real Name="Z">0</Real>
35           </Vector>
36         </Sequence>
37       </Lambda>
38       <Lambda Name="0.5">
39         <Real Name="Epot ">36.588573194355654</Real>
40         <Real Name="dVdlambda ">-21.36253704713792</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">67.581809515231726</Real>
50             <Real Name="Y">-107.88548641886848</Real>
51             <Real Name="Z">0</Real>
52           </Vector>
53           <Vector>
54             <Real Name="X">-180.3541432882482</Real>
55             <Real Name="Y">-125.74251274376144</Real>
56             <Real Name="Z">0</Real>
57           </Vector>
58           <Vector>
59             <Real Name="X">-70.458340724603119</Real>
60             <Real Name="Y">79.069117251435074</Real>
61             <Real Name="Z">0</Real>
62           </Vector>
63           <Vector>
64             <Real Name="X">183.23067449761959</Real>
65             <Real Name="Y">154.55888191119485</Real>
66             <Real Name="Z">0</Real>
67           </Vector>
68         </Sequence>
69       </Lambda>
70       <Lambda Name="1">
71         <Real Name="Epot ">26.351430093403899</Real>
72         <Real Name="dVdlambda ">-19.626431434250549</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">55.993137462851266</Real>
82             <Real Name="Y">-89.385692905082365</Real>
83             <Real Name="Z">0</Real>
84           </Vector>
85           <Vector>
86             <Real Name="X">-131.66393650722983</Real>
87             <Real Name="Y">-67.379861059233576</Real>
88             <Real Name="Z">0</Real>
89           </Vector>
90           <Vector>
91             <Real Name="X">-56.937068999985705</Real>
92             <Real Name="Y">44.908061359656728</Real>
93             <Real Name="Z">0</Real>
94           </Vector>
95           <Vector>
96             <Real Name="X">132.60786804436427</Real>
97             <Real Name="Y">111.85749260465923</Real>
98             <Real Name="Z">0</Real>
99           </Vector>
100         </Sequence>
101       </Lambda>
102     </FEP>
103   </FunctionType>
104 </ReferenceData>