Add gapsys softcore function.
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_51.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">8.1515314473352767</Real>
5   <Real Name="ECoul ">-111.63140175473714</Real>
6   <Real Name="dVdlCoul ">166.92179102684565</Real>
7   <Real Name="dVdlVdw ">-5.4343542982235178</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-251.93068947881358</Real>
12       <Real Name="Y">-377.89603421822011</Real>
13       <Real Name="Z">503.86137895762681</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">-103.926783515076</Real>
17       <Real Name="Y">-155.89017527261376</Real>
18       <Real Name="Z">-207.85356703015177</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">103.92678351507588</Real>
22       <Real Name="Y">155.89017527261387</Real>
23       <Real Name="Z">207.85356703015177</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">251.93068947881369</Real>
27       <Real Name="Y">377.89603421822</Real>
28       <Real Name="Z">-503.86137895762681</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-251.93068947881358</Real>
34       <Real Name="Y">-377.89603421822011</Real>
35       <Real Name="Z">503.86137895762681</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>