Add gapsys softcore function.
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_55.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">5.4343542982235178</Real>
5   <Real Name="ECoul ">-25.250698539278318</Real>
6   <Real Name="dVdlCoul ">180.76337086185185</Real>
7   <Real Name="dVdlVdw ">-5.4343542982235178</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-133.94299908103682</Real>
12       <Real Name="Y">-200.91449862155497</Real>
13       <Real Name="Z">239.94695446217898</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">-7.9776543416299788</Real>
17       <Real Name="Y">-11.96648151244495</Real>
18       <Real Name="Z">-15.95530868325994</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">14.962415266603566</Real>
22       <Real Name="Y">22.443622899905357</Real>
23       <Real Name="Z">29.924830533207132</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">126.95823815606323</Real>
27       <Real Name="Y">190.43735723409455</Real>
28       <Real Name="Z">-253.91647631212618</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-133.94299908103682</Real>
34       <Real Name="Y">-200.91449862155497</Real>
35       <Real Name="Z">239.94695446217898</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>