[RFC] Change nonbonded-fep-test reference data to analytical Ewald
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_30.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">5.7877856110730166</Real>
5   <Real Name="ECoul ">-63.863612325243423</Real>
6   <Real Name="dVdlCoul ">59.73237907594654</Real>
7   <Real Name="dVdlVdw ">-5.7498617329574744</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-53.906359726064579</Real>
12       <Real Name="Y">-80.859539589096698</Real>
13       <Real Name="Z">281.95872511819493</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">-21.900833574556199</Real>
17       <Real Name="Y">-32.851250361834246</Real>
18       <Real Name="Z">-43.801667149112347</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">-21.635667841960316</Real>
22       <Real Name="Y">-32.453501762940483</Real>
23       <Real Name="Z">-43.271335683920633</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">97.442861142581094</Real>
27       <Real Name="Y">146.16429171387142</Real>
28       <Real Name="Z">-194.88572228516199</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-53.906359726064579</Real>
34       <Real Name="Y">-80.859539589096698</Real>
35       <Real Name="Z">281.95872511819493</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>