Updated exponential fitting to make it robust.

[alexxy/gromacs.git] / src / gromacs / correlationfunctions / tests / refdata / ExpfitTest_EffnERF.xml

diff --git a/src/gromacs/correlationfunctions/tests/refdata/ExpfitTest_EffnERF.xml b/src/gromacs/correlationfunctions/tests/refdata/ExpfitTest_EffnERF.xml
index f968c0c25e9829b1760347cf11bf52bc2fe35b71..b9f7053a5e4bc3392012ca295c238c97e1081c1f 100644 (file)
--- a/src/gromacs/correlationfunctions/tests/refdata/ExpfitTest_EffnERF.xml
+++ b/src/gromacs/correlationfunctions/tests/refdata/ExpfitTest_EffnERF.xml
@@ -3,9 +3,9 @@
 <ReferenceData>
   <Sequence Name="result">
     <Int Name="Length">4</Int>
-    <Real>7.8450705641969325</Real>
-    <Real>2.6181457557146546</Real>
-    <Real>-124.26093946666471</Real>
-    <Real>10.991394787222672</Real>
+    <Real>93.478249768350366</Real>
+    <Real>106.54191922850268</Real>
+    <Real>180.89848007846916</Real>
+    <Real>4.0862253105513728</Real>
   </Sequence>
 </ReferenceData>