Tests for listed force potentials.
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Angle_ListedForcesTest_Ifunc_14.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 ">18.498235511145133</Real>
8         <Real Name="dVdlambda ">-1.9320969084811583</Real>
9         <Vector Name="Central shift forces">
10           <Real Name="X">0</Real>
11           <Real Name="Y">-2.8421709430404007e-14</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">202.74908144000796</Real>
19             <Real Name="Z">-2.8421709430404007e-14</Real>
20           </Vector>
21           <Vector>
22             <Real Name="X">0</Real>
23             <Real Name="Y">-202.74908144000807</Real>
24             <Real Name="Z">0</Real>
25           </Vector>
26           <Vector>
27             <Real Name="X">0</Real>
28             <Real Name="Y">8.5265128291212022e-14</Real>
29             <Real Name="Z">276.47602014546533</Real>
30           </Vector>
31           <Vector>
32             <Real Name="X">0</Real>
33             <Real Name="Y">0</Real>
34             <Real Name="Z">-276.47602014546533</Real>
35           </Vector>
36         </Sequence>
37       </Lambda>
38       <Lambda Name="0.5">
39         <Real Name="Epot ">17.066259482469789</Real>
40         <Real Name="dVdlambda ">-3.8362032838016598</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">174.18385934903407</Real>
51             <Real Name="Z">-5.6843418860808015e-14</Real>
52           </Vector>
53           <Vector>
54             <Real Name="X">0</Real>
55             <Real Name="Y">-174.18385934903424</Real>
56             <Real Name="Z">0</Real>
57           </Vector>
58           <Vector>
59             <Real Name="X">0</Real>
60             <Real Name="Y">1.9895196601282805e-13</Real>
61             <Real Name="Z">237.52344456686464</Real>
62           </Vector>
63           <Vector>
64             <Real Name="X">0</Real>
65             <Real Name="Y">-2.8421709430404007e-14</Real>
66             <Real Name="Z">-237.52344456686458</Real>
67           </Vector>
68         </Sequence>
69       </Lambda>
70       <Lambda Name="1">
71         <Real Name="Epot ">14.621636149762006</Real>
72         <Real Name="dVdlambda ">-5.9826861246109555</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">139.62634015954637</Real>
83             <Real Name="Z">0</Real>
84           </Vector>
85           <Vector>
86             <Real Name="X">0</Real>
87             <Real Name="Y">-139.62634015954643</Real>
88             <Real Name="Z">0</Real>
89           </Vector>
90           <Vector>
91             <Real Name="X">0</Real>
92             <Real Name="Y">8.5265128291212022e-14</Real>
93             <Real Name="Z">190.39955476301776</Real>
94           </Vector>
95           <Vector>
96             <Real Name="X">0</Real>
97             <Real Name="Y">-2.8421709430404007e-14</Real>
98             <Real Name="Z">-190.39955476301776</Real>
99           </Vector>
100         </Sequence>
101       </Lambda>
102     </FEP>
103   </FunctionType>
104 </ReferenceData>