[RFC] Change nonbonded-fep-test reference data to analytical Ewald
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_24.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">11.244864181870648</Real>
5   <Real Name="ECoul ">-91.431611236311795</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">-209.02696105480408</Real>
12       <Real Name="Y">-313.5404415822058</Real>
13       <Real Name="Z">418.05392210960781</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">-40.82809656232098</Real>
17       <Real Name="Y">-61.242144843481384</Real>
18       <Real Name="Z">-81.656193124641874</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">40.828096562320937</Real>
22       <Real Name="Y">61.242144843481427</Real>
23       <Real Name="Z">81.656193124641874</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">209.02696105480413</Real>
27       <Real Name="Y">313.54044158220574</Real>
28       <Real Name="Z">-418.05392210960781</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-209.02696105480408</Real>
34       <Real Name="Y">-313.5404415822058</Real>
35       <Real Name="Z">418.05392210960781</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>