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Updated iterative_fitter.py

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titusquah
2020-07-16 07:13:02 -06:00
parent e275b50e2c
commit 23f4a466eb
3 changed files with 25 additions and 16 deletions
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18
docs/Examples/outputs/temp.xml
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@@ -33,7 +33,7 @@
<thermo>
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-1376877.154483614</h0>
<h0 units="J/mol" updated="Updated at 7:6 7-16-2020">-1376877.154483614</h0>
<s0 units="J/mol/K"> 558.9824 </s0>
<cp0 units="J/mol/K"> 0.0</cp0>
</const_cp>
@@ -50,7 +50,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4933435.73807457</h0>
<h0 units="J/mol" updated="Updated at 23:0 7-15-2020">-4926549.797810851</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>
@@ -67,7 +67,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4936620.461887979</h0>
<h0 units="J/mol" updated="Updated at 23:0 7-15-2020">-4935519.640701385</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>
@@ -85,7 +85,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4932173.388635787</h0>
<h0 units="J/mol" updated="Updated at 23:0 7-15-2020">-4928317.781440989</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>
@@ -103,7 +103,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4991281.90783811</h0>
<h0 units="J/mol" updated="Updated at 23:0 7-15-2020">-4927428.65973482</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>
@@ -120,7 +120,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4935739.024047113</h0>
<h0 units="J/mol" updated="Updated at 23:0 7-15-2020">-4935155.356789877</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>
@@ -138,7 +138,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4944084.986155681</h0>
<h0 units="J/mol" updated="Updated at 23:0 7-15-2020">-4944228.17930387</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>
@@ -157,7 +157,7 @@
<const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4924682.918862937</h0>
<h0 units="J/mol" updated="Updated at 23:0 7-15-2020">-4925606.187988869</h0>
<s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0>
</const_cp>
@@ -341,7 +341,7 @@
</binarySaltParameters>
<binarySaltParameters anion="Cl-" cation="Sm+++">
<beta0 updated="Updated at 2:49 7-16-2020"> 0.6989806463779159, 0.0, 0.0, 0.0, 0.0 </beta0>
<beta0 updated="Updated at 7:6 7-16-2020"> 0.6989806463779159, 0.0, 0.0, 0.0, 0.0 </beta0>
<beta1 updated="Updated at 1:25 7-16-2020"> 6.8744371885601625, 0.0, 0.0, 0.0, 0.0 </beta1>
<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
<Cphi updated="Updated at 23:0 7-15-2020"> -0.019920000110321332, 0.0, 0.0, 0.0, 0.0 </Cphi>