[RFC] Change nonbonded-fep-test reference data to analytical Ewald
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_28.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">7.6802835669165956</Real>
5   <Real Name="ECoul ">-61.20791980865792</Real>
6   <Real Name="dVdlCoul ">60.447382846936364</Real>
7   <Real Name="dVdlVdw ">-7.1291612299081022</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-124.92752880856258</Real>
12       <Real Name="Y">-187.39129321284355</Real>
13       <Real Name="Z">418.05392210960781</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">-20.41404828116049</Real>
17       <Real Name="Y">-30.621072421740692</Real>
18       <Real Name="Z">-40.828096562320937</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">-21.63566784196027</Real>
22       <Real Name="Y">-32.453501762940419</Real>
23       <Real Name="Z">-43.27133568392054</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">166.97724493168334</Real>
27       <Real Name="Y">250.46586739752468</Real>
28       <Real Name="Z">-333.95448986336635</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-124.92752880856258</Real>
34       <Real Name="Y">-187.39129321284355</Real>
35       <Real Name="Z">418.05392210960781</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>