Add gapsys softcore function.
[alexxy/gromacs.git] / src / gromacs / gmxlib / nonbonded / tests / refdata / NBInteraction_NonbondedFepTest_testKernel_81.xml
1 <?xml version="1.0"?>
2 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
3 <ReferenceData>
4   <Real Name="EVdw ">3.1048492684071016</Real>
5   <Real Name="ECoul ">76.897537343641645</Real>
6   <Real Name="dVdlCoul ">188.52893909837877</Real>
7   <Real Name="dVdlVdw ">-6.2096985368142033</Real>
8   <Sequence Name="Forces">
9     <Int Name="Length">4</Int>
10     <Vector>
11       <Real Name="X">-94.898901947422104</Real>
12       <Real Name="Y">-142.34835292113269</Real>
13       <Real Name="Z">521.9171420929348</Real>
14     </Vector>
15     <Vector>
16       <Real Name="X">0</Real>
17       <Real Name="Y">0</Real>
18       <Real Name="Z">0</Real>
19     </Vector>
20     <Vector>
21       <Real Name="X">-83.029834549522747</Real>
22       <Real Name="Y">-124.54475182428416</Real>
23       <Real Name="Z">-166.05966909904549</Real>
24     </Vector>
25     <Vector>
26       <Real Name="X">177.92873649694485</Real>
27       <Real Name="Y">266.89310474541685</Real>
28       <Real Name="Z">-355.8574729938893</Real>
29     </Vector>
30   </Sequence>
31   <Shift-Forces Name="Shift-forces">
32     <Vector Name="Central">
33       <Real Name="X">-94.898901947422104</Real>
34       <Real Name="Y">-142.34835292113269</Real>
35       <Real Name="Z">521.9171420929348</Real>
36     </Vector>
37   </Shift-Forces>
38 </ReferenceData>