Fix bonded tests

[alexxy/gromacs.git] / src / gromacs / listed_forces / tests / refdata / Bond_ListedForcesTest_Ifunc_22.xml

diff --git a/src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_22.xml b/src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_22.xml
index 2c0a671b45075937a56cd8458d7a312778da2b9a..8010fc344adedb2eb957b9e80ed7a32d8152b639 100644 (file)
--- a/src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_22.xml
+++ b/src/gromacs/listed_forces/tests/refdata/Bond_ListedForcesTest_Ifunc_22.xml
@@ -1,38 +1,40 @@
 <?xml version="1.0"?>
 <?xml-stylesheet type="text/xsl" href="referencedata.xsl"?>
 <ReferenceData>
-  <FunctionType Name="G96BONDS">
+  <FunctionType Name="FENEBONDS">
     <FEP Name="No">
-      <Real Name="Epot ">0.68660874999999988</Real>
+      <Real Name="Epot ">0.18959383927086038</Real>
       <Real Name="dVdlambda ">0</Real>
-      <Vector Name="Central shift forces">
-        <Real Name="X">0</Real>
-        <Real Name="Y">0</Real>
-        <Real Name="Z">0</Real>
-      </Vector>
       <Sequence Name="Forces">
         <Int Name="Length">4</Int>
         <Vector>
-          <Real Name="X">0</Real>
-          <Real Name="Y">0</Real>
-          <Real Name="Z">-0.95624999999999993</Real>
+          <Real Name="X">-0.59147774272182241</Real>
+          <Real Name="Y">-0.081987013842628936</Real>
+          <Real Name="Z">0.66760854128997849</Real>
         </Vector>
         <Vector>
-          <Real Name="X">0</Real>
-          <Real Name="Y">-0.49070000000000003</Real>
-          <Real Name="Z">0.46554999999999991</Real>
+          <Real Name="X">0.65588950958050518</Real>
+          <Real Name="Y">-0.72023226430641119</Real>
+          <Real Name="Z">-0.27528232496891542</Real>
         </Vector>
         <Vector>
-          <Real Name="X">0</Real>
-          <Real Name="Y">-0.26774999999999982</Real>
-          <Real Name="Z">0.49070000000000003</Real>
+          <Real Name="X">-0.66753571468553319</Real>
+          <Real Name="Y">0.71438569351406245</Real>
+          <Real Name="Z">0.26349788228677368</Real>
         </Vector>
         <Vector>
+          <Real Name="X">0.60312394782685042</Real>
+          <Real Name="Y">0.08783358463497766</Real>
+          <Real Name="Z">-0.65582409860783675</Real>
+        </Vector>
+      </Sequence>
+      <Shift-Forces Name="Shift-forces">
+        <Vector Name="Central">
           <Real Name="X">0</Real>
-          <Real Name="Y">0.75844999999999985</Real>
+          <Real Name="Y">0</Real>
           <Real Name="Z">0</Real>
         </Vector>
-      </Sequence>
+      </Shift-Forces>
     </FEP>
   </FunctionType>
 </ReferenceData>