Add unit test for the nonbonded fep kernel.
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_6.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">4.3172005809706242</Real>
5   <Real Name="ECoul ">-20.022624722133244</Real>
6   <Real Name="dVdlCoul ">187.81393532738895</Real>
7   <Real Name="dVdlVdw ">-4.8303990398635737</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-106.90756741444682</Real>
12       <Real Name="Y">-160.36135112167005</Real>
13       <Real Name="Z">385.82194510152198</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">-48.936236267106707</Real>
17       <Real Name="Y">-73.404354400659955</Real>
18       <Real Name="Z">-97.872472534213301</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">5.9345336989495294</Real>
22       <Real Name="Y">8.9018005484242977</Real>
23       <Real Name="Z">11.869067397899059</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">149.909269982604</Real>
27       <Real Name="Y">224.8639049739057</Real>
28       <Real Name="Z">-299.81853996520772</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-106.90756741444682</Real>
34       <Real Name="Y">-160.36135112167005</Real>
35       <Real Name="Z">385.82194510152198</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>