Tests for listed force potentials.
[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Bond_ListedForcesTest_Ifunc_28.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 ">0.60729552401249998</Real>
8         <Real Name="dVdlambda ">0.13702079039500031</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">0</Real>
18             <Real Name="Y">0</Real>
19             <Real Name="Z">-1.0999999999999999</Real>
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23             <Real Name="Y">0</Real>
24             <Real Name="Z">1.7998749999999999</Real>
25           </Vector>
26           <Vector>
27             <Real Name="X">0.073982949999999992</Real>
28             <Real Name="Y">-0.64982000000000006</Real>
29             <Real Name="Z">-0.050054999999999961</Real>
30           </Vector>
31           <Vector>
32             <Real Name="X">-0.038989200000000002</Real>
33             <Real Name="Y">0.64982000000000006</Real>
34             <Real Name="Z">-0.64982000000000006</Real>
35           </Vector>
36         </Sequence>
37       </Lambda>
38       <Lambda Name="0.5">
39         <Real Name="Epot ">0.63542724661125005</Real>
40         <Real Name="dVdlambda ">0.086532990395000342</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">0</Real>
51             <Real Name="Z">-1.0799999999999998</Real>
52           </Vector>
53           <Vector>
54             <Real Name="X">-0.033744375</Real>
55             <Real Name="Y">0</Real>
56             <Real Name="Z">1.7548874999999999</Real>
57           </Vector>
58           <Vector>
59             <Real Name="X">0.071534655000000003</Real>
60             <Real Name="Y">-0.62983800000000001</Real>
61             <Real Name="Z">-0.045049500000000076</Real>
62           </Vector>
63           <Vector>
64             <Real Name="X">-0.037790280000000002</Real>
65             <Real Name="Y">0.62983800000000001</Real>
66             <Real Name="Z">-0.62983800000000001</Real>
67           </Vector>
68         </Sequence>
69       </Lambda>
70       <Lambda Name="1">
71         <Real Name="Epot ">0.64981201921000009</Real>
72         <Real Name="dVdlambda ">0.027045190395000279</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">0</Real>
83             <Real Name="Z">-1.04</Real>
84           </Vector>
85           <Vector>
86             <Real Name="X">-0.031995000000000003</Real>
87             <Real Name="Y">0</Real>
88             <Real Name="Z">1.6798999999999999</Real>
89           </Vector>
90           <Vector>
91             <Real Name="X">0.067986359999999996</Real>
92             <Real Name="Y">-0.59985600000000006</Real>
93             <Real Name="Z">-0.040043999999999969</Real>
94           </Vector>
95           <Vector>
96             <Real Name="X">-0.03599136</Real>
97             <Real Name="Y">0.59985600000000006</Real>
98             <Real Name="Z">-0.59985600000000006</Real>
99           </Vector>
100         </Sequence>
101       </Lambda>
102     </FEP>
103   </FunctionType>
104 </ReferenceData>