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Updated exponential fitting to make it robust.
[alexxy/gromacs.git] / src / gromacs / correlationfunctions / tests / refdata / AutocorrTest_EacNormal.xml
diff --git a/src/gromacs/correlationfunctions/tests/refdata/AutocorrTest_EacNormal.xml b/src/gromacs/correlationfunctions/tests/refdata/AutocorrTest_EacNormal.xml
index 415cf1f5565dfe3a2f631dfcd93004c0d4ddf9eb..b61d14bc34077ec7b9fb0e9a2466df6023c9b76b 100644 (file)
--- a/src/gromacs/correlationfunctions/tests/refdata/AutocorrTest_EacNormal.xml
+++ b/src/gromacs/correlationfunctions/tests/refdata/AutocorrTest_EacNormal.xml
@@ -12,26 +12,26 @@
     <Real>0.70085573</Real>
     <Real>0.63575351</Real>
     <Real>0.56621635</Real>
-    <Real>0.49021092</Real>
-    <Real>0.41346616</Real>
+    <Real>0.49021095</Real>
+    <Real>0.41346619</Real>
     <Real>0.32695487</Real>
     <Real>0.23947404</Real>
     <Real>0.15114491</Real>
-    <Real>0.068911292</Real>
-    <Real>-0.018343732</Real>
+    <Real>0.068911299</Real>
+    <Real>-0.018343734</Real>
     <Real>-0.10222372</Real>
     <Real>-0.17851034</Real>
-    <Real>-0.2556752</Real>
+    <Real>-0.25567523</Real>
     <Real>-0.33233142</Real>
     <Real>-0.40906069</Real>
-    <Real>-0.47129509</Real>
+    <Real>-0.47129512</Real>
     <Real>-0.52546626</Real>
     <Real>-0.577564</Real>
     <Real>-0.62862134</Real>
     <Real>-0.66793829</Real>
     <Real>-0.70031446</Real>
     <Real>-0.71649045</Real>
-    <Real>-0.73871797</Real>
+    <Real>-0.73871803</Real>
     <Real>-0.74570811</Real>
     <Real>-0.75775838</Real>
     <Real>-0.75111836</Real>
@@ -39,7 +39,7 @@
     <Real>-0.71327382</Real>
     <Real>-0.68468153</Real>
     <Real>-0.65119308</Real>
-    <Real>-0.60643828</Real>
+    <Real>-0.60643834</Real>
     <Real>-0.56428039</Real>
     <Real>-0.52878588</Real>
     <Real>-0.46647781</Real>
@@ -47,75 +47,75 @@
     <Real>-0.34746397</Real>
     <Real>-0.28559166</Real>
     <Real>-0.22607948</Real>
-    <Real>-0.15521984</Real>
+    <Real>-0.15521985</Real>
     <Real>-0.087527938</Real>
-    <Real>-0.021420239</Real>
+    <Real>-0.02142024</Real>
     <Real>0.042880654</Real>
     <Real>0.10628833</Real>
-    <Real>0.169659</Real>
+    <Real>0.16965902</Real>
     <Real>0.23284768</Real>
-    <Real>0.29287171</Real>
+    <Real>0.29287174</Real>
     <Real>0.33996987</Real>
     <Real>0.3846795</Real>
     <Real>0.4326345</Real>
     <Real>0.47152123</Real>
     <Real>0.50605392</Real>
-    <Real>0.53039247</Real>
+    <Real>0.53039253</Real>
     <Real>0.552634</Real>
     <Real>0.57193202</Real>
     <Real>0.57857972</Real>
     <Real>0.58289105</Real>
-    <Real>0.5867179</Real>
+    <Real>0.58671796</Real>
     <Real>0.57858908</Real>
     <Real>0.57083881</Real>
     <Real>0.54604369</Real>
     <Real>0.52723479</Real>
     <Real>0.50264382</Real>
     <Real>0.4660213</Real>
-    <Real>0.42628899</Real>
+    <Real>0.42628902</Real>
     <Real>0.38307241</Real>
-    <Real>0.33706102</Real>
+    <Real>0.33706105</Real>
     <Real>0.29605037</Real>
     <Real>0.25652972</Real>
-    <Real>0.20322086</Real>
-    <Real>0.15179904</Real>
+    <Real>0.20322087</Real>
+    <Real>0.15179905</Real>
     <Real>0.1005994</Real>
     <Real>0.053715136</Real>
-    <Real>-0.0024519849</Real>
+    <Real>-0.0024519851</Real>
     <Real>-0.051181242</Real>
-    <Real>-0.098006107</Real>
+    <Real>-0.098006114</Real>
     <Real>-0.15021549</Real>
-    <Real>-0.19438037</Real>
+    <Real>-0.19438039</Real>
     <Real>-0.2419212</Real>
-    <Real>-0.28681141</Real>
+    <Real>-0.28681144</Real>
     <Real>-0.32269096</Real>
     <Real>-0.35785615</Real>
-    <Real>-0.38878986</Real>
+    <Real>-0.38878989</Real>
     <Real>-0.41733515</Real>
-    <Real>-0.44138661</Real>
-    <Real>-0.44811302</Real>
+    <Real>-0.44138664</Real>
+    <Real>-0.44811305</Real>
     <Real>-0.46269119</Real>
     <Real>-0.46645734</Real>
-    <Real>-0.47144547</Real>
-    <Real>-0.47026828</Real>
-    <Real>-0.46132591</Real>
+    <Real>-0.4714455</Real>
+    <Real>-0.47026831</Real>
+    <Real>-0.46132594</Real>
     <Real>-0.44804862</Real>
     <Real>-0.43905067</Real>
     <Real>-0.41386977</Real>
-    <Real>-0.38871932</Real>
-    <Real>-0.36298344</Real>
+    <Real>-0.38871935</Real>
+    <Real>-0.36298347</Real>
     <Real>-0.32728449</Real>
     <Real>-0.28807318</Real>
     <Real>-0.25138158</Real>
-    <Real>-0.20809993</Real>
+    <Real>-0.20809995</Real>
     <Real>-0.17095725</Real>
     <Real>-0.13121751</Real>
     <Real>-0.086369112</Real>
     <Real>-0.040557165</Real>
     <Real>0.0057886061</Real>
-    <Real>0.050152354</Real>
-    <Real>0.082554683</Real>
-    <Real>0.12262377</Real>
+    <Real>0.050152358</Real>
+    <Real>0.082554691</Real>
+    <Real>0.12262378</Real>
     <Real>0.15991174</Real>
     <Real>0.19901413</Real>
     <Real>0.22433081</Real>
@@ -130,82 +130,82 @@
     <Real>0.37430125</Real>
     <Real>0.37234989</Real>
     <Real>0.36795545</Real>
-    <Real>0.35466814</Real>
-    <Real>0.34249428</Real>
+    <Real>0.35466817</Real>
+    <Real>0.34249431</Real>
     <Real>0.32283241</Real>
     <Real>0.30485228</Real>
     <Real>0.28708842</Real>
-    <Real>0.25817123</Real>
-    <Real>0.22833388</Real>
+    <Real>0.25817126</Real>
+    <Real>0.22833389</Real>
     <Real>0.20199309</Real>
-    <Real>0.16451561</Real>
-    <Real>0.14491151</Real>
+    <Real>0.16451563</Real>
+    <Real>0.14491153</Real>
     <Real>0.10192882</Real>
-    <Real>0.071294688</Real>
-    <Real>0.03886297</Real>
-    <Real>0.0038909942</Real>
+    <Real>0.071294695</Real>
+    <Real>0.038862973</Real>
+    <Real>0.0038909945</Real>
     <Real>-0.020299936</Real>
     <Real>-0.055376183</Real>
     <Real>-0.092676423</Real>
     <Real>-0.12172776</Real>
     <Real>-0.15591128</Real>
-    <Real>-0.17435807</Real>
+    <Real>-0.17435808</Real>
     <Real>-0.19855703</Real>
     <Real>-0.21759604</Real>
-    <Real>-0.2342567</Real>
+    <Real>-0.23425671</Real>
     <Real>-0.2501609</Real>
-    <Real>-0.26639262</Real>
+    <Real>-0.26639265</Real>
     <Real>-0.27480033</Real>
     <Real>-0.2769354</Real>
     <Real>-0.28888217</Real>
     <Real>-0.29434624</Real>
-    <Real>-0.29110822</Real>
+    <Real>-0.29110825</Real>
     <Real>-0.28738263</Real>
     <Real>-0.27644756</Real>
     <Real>-0.26865044</Real>
-    <Real>-0.26017156</Real>
-    <Real>-0.24633232</Real>
+    <Real>-0.26017159</Real>
+    <Real>-0.24633233</Real>
     <Real>-0.22993366</Real>
-    <Real>-0.21036342</Real>
+    <Real>-0.21036343</Real>
     <Real>-0.19680807</Real>
     <Real>-0.16794714</Real>
-    <Real>-0.14982072</Real>
+    <Real>-0.14982073</Real>
     <Real>-0.1253354</Real>
-    <Real>-0.091874786</Real>
+    <Real>-0.091874793</Real>
     <Real>-0.070614971</Real>
     <Real>-0.043464452</Real>
     <Real>-0.01496042</Real>
     <Real>0.0054097059</Real>
-    <Real>0.039536409</Real>
+    <Real>0.039536413</Real>
     <Real>0.058995754</Real>
     <Real>0.087431222</Real>
-    <Real>0.10856776</Real>
-    <Real>0.12864889</Real>
+    <Real>0.10856777</Real>
+    <Real>0.12864891</Real>
     <Real>0.14001396</Real>
     <Real>0.15372792</Real>
     <Real>0.16890197</Real>
     <Real>0.1832682</Real>
-    <Real>0.19547278</Real>
+    <Real>0.19547279</Real>
     <Real>0.20601526</Real>
-    <Real>0.22224233</Real>
+    <Real>0.22224234</Real>
     <Real>0.22276327</Real>
-    <Real>0.22658545</Real>
+    <Real>0.22658546</Real>
     <Real>0.22071175</Real>
     <Real>0.21529464</Real>
-    <Real>0.21472976</Real>
+    <Real>0.21472977</Real>
     <Real>0.20628634</Real>
     <Real>0.2043854</Real>
-    <Real>0.20099047</Real>
+    <Real>0.20099048</Real>
     <Real>0.18452412</Real>
     <Real>0.17380331</Real>
     <Real>0.15045828</Real>
-    <Real>0.13115592</Real>
+    <Real>0.13115594</Real>
     <Real>0.1251017</Real>
     <Real>0.10887553</Real>
     <Real>0.079097189</Real>
     <Real>0.061385516</Real>
     <Real>0.043582208</Real>
-    <Real>0.026112026</Real>
+    <Real>0.026112027</Real>
     <Real>0.01028904</Real>
     <Real>-0.011082372</Real>
     <Real>-0.031485982</Real>
@@ -216,43 +216,43 @@
     <Real>-0.11735611</Real>
     <Real>-0.12887773</Real>
     <Real>-0.14123638</Real>
-    <Real>-0.1465044</Real>
+    <Real>-0.14650442</Real>
     <Real>-0.16701357</Real>
     <Real>-0.16918446</Real>
     <Real>-0.17741001</Real>
-    <Real>-0.18355082</Real>
+    <Real>-0.18355083</Real>
     <Real>-0.17439707</Real>
     <Real>-0.17841232</Real>
     <Real>-0.16846335</Real>
     <Real>-0.16889346</Real>
-    <Real>-0.17227842</Real>
+    <Real>-0.17227843</Real>
     <Real>-0.17070685</Real>
     <Real>-0.15092036</Real>
     <Real>-0.15334848</Real>
     <Real>-0.12954405</Real>
     <Real>-0.11295433</Real>
-    <Real>-0.09564729</Real>
+    <Real>-0.095647298</Real>
     <Real>-0.080270432</Real>
     <Real>-0.06479656</Real>
-    <Real>-0.055495787</Real>
+    <Real>-0.055495791</Real>
     <Real>-0.03828676</Real>
     <Real>-0.026680976</Real>
     <Real>-0.0092150476</Real>
     <Real>-0.0018779703</Real>
-    <Real>0.014258126</Real>
+    <Real>0.014258127</Real>
     <Real>0.023644734</Real>
-    <Real>0.040185757</Real>
+    <Real>0.040185761</Real>
     <Real>0.050761189</Real>
     <Real>0.060287103</Real>
     <Real>0.065608293</Real>
-    <Real>0.080362737</Real>
+    <Real>0.080362745</Real>
     <Real>0.083356142</Real>
     <Real>0.10414003</Real>
     <Real>0.11332227</Real>
     <Real>0.12000805</Real>
     <Real>0.12286837</Real>
-    <Real>0.13463314</Real>
-    <Real>0.14336015</Real>
+    <Real>0.13463315</Real>
+    <Real>0.14336017</Real>
     <Real>0.15017572</Real>
     <Real>1.6947948e-05</Real>
     <Real>1.720169e-05</Real>
@@ -505,5 +505,5 @@
     <Real>-0.00016269117</Real>
     <Real>-0.00016905692</Real>
   </Sequence>
-  <Real Name="Integral">0.049695708357404555</Real>
+  <Real Name="Integral">0.049695614293824519</Real>
 </ReferenceData>
Local GROMACS mirror with custom stuff