From e275b50e2c4fb0200f2f071c2ed4a63e462f5828 Mon Sep 17 00:00:00 2001
From: titusquah <46580668+titusquah@users.noreply.github.com>
Date: Thu, 16 Jul 2020 07:04:46 -0600
Subject: [PATCH] Updated iterative_fitter.py

---
 .idea/workspace.xml                           | 68 +++++++++---------
 .../xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml | 58 ++++++++--------
 docs/Examples/iterative_fitter.py             | 35 +++++++---
 docs/Examples/iterative_fitter_monitor.py     | 69 +++++++++++--------
 docs/Examples/outputs/temp.xml                | 58 ++++++++--------
 5 files changed, 159 insertions(+), 129 deletions(-)

diff --git a/.idea/workspace.xml b/.idea/workspace.xml
index 4330c24..e87437a 100644
--- a/.idea/workspace.xml
+++ b/.idea/workspace.xml
@@ -1,9 +1,11 @@
 <?xml version="1.0" encoding="UTF-8"?>
 <project version="4">
   <component name="ChangeListManager">
-    <list default="true" id="f4439dc0-6756-4612-8f7d-596d8949f300" name="Default Changelist" comment="Updated iterative_fitter.py">
+    <list default="true" id="f4439dc0-6756-4612-8f7d-596d8949f300" name="Default Changelist" comment="">
       <change beforePath="$PROJECT_DIR$/.idea/workspace.xml" beforeDir="false" afterPath="$PROJECT_DIR$/.idea/workspace.xml" afterDir="false" />
       <change beforePath="$PROJECT_DIR$/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml" beforeDir="false" afterPath="$PROJECT_DIR$/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml" afterDir="false" />
+      <change beforePath="$PROJECT_DIR$/docs/examples/iterative_fitter.py" beforeDir="false" afterPath="$PROJECT_DIR$/docs/examples/iterative_fitter.py" afterDir="false" />
+      <change beforePath="$PROJECT_DIR$/docs/examples/iterative_fitter_monitor.py" beforeDir="false" afterPath="$PROJECT_DIR$/docs/examples/iterative_fitter_monitor.py" afterDir="false" />
     </list>
     <option name="SHOW_DIALOG" value="false" />
     <option name="HIGHLIGHT_CONFLICTS" value="true" />
@@ -41,7 +43,7 @@
     <property name="run.code.analysis.last.selected.profile" value="aDefault" />
     <property name="settings.editor.selected.configurable" value="preferences.sourceCode" />
   </component>
-  <component name="RunManager" selected="Python.iterative_fitter">
+  <component name="RunManager" selected="Python.iterative_fitter_monitor">
     <configuration name="eval_mod_lin_params_const_pitzer" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
       <module name="parameter-estimation" />
       <option name="INTERPRETER_OPTIONS" value="" />
@@ -60,19 +62,16 @@
       <option name="INPUT_FILE" value="" />
       <method v="2" />
     </configuration>
-    <configuration name="grapher_obj_func" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
+    <configuration name="grapher_pitzer_sens_analy" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
       <module name="parameter-estimation" />
       <option name="INTERPRETER_OPTIONS" value="" />
       <option name="PARENT_ENVS" value="true" />
-      <envs>
-        <env name="PYTHONUNBUFFERED" value="1" />
-      </envs>
       <option name="SDK_HOME" value="" />
-      <option name="WORKING_DIRECTORY" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/one_rare_earth_fit" />
+      <option name="WORKING_DIRECTORY" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/pitzer_parameter_explore/code" />
       <option name="IS_MODULE_SDK" value="false" />
       <option name="ADD_CONTENT_ROOTS" value="true" />
       <option name="ADD_SOURCE_ROOTS" value="true" />
-      <option name="SCRIPT_NAME" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/one_rare_earth_fit/grapher_obj_func.py" />
+      <option name="SCRIPT_NAME" value="C:\Users\tq220\Documents\Tits things\ANL Research\anl_box\Box Sync\titus\pitzer_parameter_explore\code\grapher_pitzer_sens_analy.py" />
       <option name="PARAMETERS" value="" />
       <option name="SHOW_COMMAND_LINE" value="true" />
       <option name="EMULATE_TERMINAL" value="false" />
@@ -81,16 +80,16 @@
       <option name="INPUT_FILE" value="" />
       <method v="2" />
     </configuration>
-    <configuration name="grapher_pitzer_sens_analy" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
+    <configuration name="iterative_fitter" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
       <module name="parameter-estimation" />
       <option name="INTERPRETER_OPTIONS" value="" />
       <option name="PARENT_ENVS" value="true" />
       <option name="SDK_HOME" value="" />
-      <option name="WORKING_DIRECTORY" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/pitzer_parameter_explore/code" />
-      <option name="IS_MODULE_SDK" value="false" />
+      <option name="WORKING_DIRECTORY" value="$PROJECT_DIR$/docs/examples" />
+      <option name="IS_MODULE_SDK" value="true" />
       <option name="ADD_CONTENT_ROOTS" value="true" />
       <option name="ADD_SOURCE_ROOTS" value="true" />
-      <option name="SCRIPT_NAME" value="C:\Users\tq220\Documents\Tits things\ANL Research\anl_box\Box Sync\titus\pitzer_parameter_explore\code\grapher_pitzer_sens_analy.py" />
+      <option name="SCRIPT_NAME" value="$PROJECT_DIR$/docs/examples/iterative_fitter.py" />
       <option name="PARAMETERS" value="" />
       <option name="SHOW_COMMAND_LINE" value="true" />
       <option name="EMULATE_TERMINAL" value="false" />
@@ -99,7 +98,7 @@
       <option name="INPUT_FILE" value="" />
       <method v="2" />
     </configuration>
-    <configuration name="iterative_fitter" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
+    <configuration name="iterative_fitter_monitor" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
       <module name="parameter-estimation" />
       <option name="INTERPRETER_OPTIONS" value="" />
       <option name="PARENT_ENVS" value="true" />
@@ -108,7 +107,7 @@
       <option name="IS_MODULE_SDK" value="true" />
       <option name="ADD_CONTENT_ROOTS" value="true" />
       <option name="ADD_SOURCE_ROOTS" value="true" />
-      <option name="SCRIPT_NAME" value="$PROJECT_DIR$/docs/examples/iterative_fitter.py" />
+      <option name="SCRIPT_NAME" value="$PROJECT_DIR$/docs/examples/iterative_fitter_monitor.py" />
       <option name="PARAMETERS" value="" />
       <option name="SHOW_COMMAND_LINE" value="true" />
       <option name="EMULATE_TERMINAL" value="false" />
@@ -137,11 +136,11 @@
     </configuration>
     <recent_temporary>
       <list>
+        <item itemvalue="Python.iterative_fitter_monitor" />
+        <item itemvalue="Python.iterative_fitter_monitor" />
         <item itemvalue="Python.iterative_fitter" />
         <item itemvalue="Python.eval_mod_lin_params_const_pitzer" />
         <item itemvalue="Python.eval_mod_lin_params_const_pitzer" />
-        <item itemvalue="Python.scratch_3" />
-        <item itemvalue="Python.grapher_pitzer_sens_analy" />
       </list>
     </recent_temporary>
   </component>
@@ -367,7 +366,14 @@
       <option name="project" value="LOCAL" />
       <updated>1594866469947</updated>
     </task>
-    <option name="localTasksCounter" value="29" />
+    <task id="LOCAL-00029" summary="Updated iterative_fitter.py">
+      <created>1594875465079</created>
+      <option name="number" value="00029" />
+      <option name="presentableId" value="LOCAL-00029" />
+      <option name="project" value="LOCAL" />
+      <updated>1594875465079</updated>
+    </task>
+    <option name="localTasksCounter" value="30" />
     <servers />
   </component>
   <component name="Vcs.Log.Tabs.Properties">
@@ -427,11 +433,11 @@
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
     <state x="-1213" y="379" key="ANALYSIS_DLG_com.intellij.analysis.BaseAnalysisAction$1/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1590787657711" />
-    <state x="662" y="155" key="CommitChangelistDialog2" timestamp="1594875436164">
+    <state x="662" y="155" key="CommitChangelistDialog2" timestamp="1594875463744">
       <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state x="-1364" y="117" key="CommitChangelistDialog2/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594866466867" />
-    <state x="662" y="155" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594875436164" />
+    <state x="662" y="155" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594875463744" />
     <state x="-1828" y="94" width="1736" height="856" key="DiffContextDialog" timestamp="1591048879404">
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
@@ -445,30 +451,30 @@
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
     <state x="-1523" y="423" key="GitRewordDialog/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1592321433648" />
-    <state width="1899" height="348" key="GridCell.Tab.0.bottom" timestamp="1594852783300">
-      <screen x="-1920" y="2" width="1920" height="1040" />
+    <state width="1899" height="279" key="GridCell.Tab.0.bottom" timestamp="1594903350183">
+      <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state width="1899" height="348" key="GridCell.Tab.0.bottom/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852783300" />
     <state width="1897" height="281" key="GridCell.Tab.0.bottom/0.0.1536.824/-1920.2.1920.1040@0.0.1536.824" timestamp="1590795386435" />
-    <state width="1899" height="279" key="GridCell.Tab.0.bottom/0.0.1920.1040@0.0.1920.1040" timestamp="1594769549587" />
-    <state width="1899" height="348" key="GridCell.Tab.0.center" timestamp="1594852783299">
-      <screen x="-1920" y="2" width="1920" height="1040" />
+    <state width="1899" height="279" key="GridCell.Tab.0.bottom/0.0.1920.1040@0.0.1920.1040" timestamp="1594903350183" />
+    <state width="1899" height="279" key="GridCell.Tab.0.center" timestamp="1594903350183">
+      <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state width="1899" height="348" key="GridCell.Tab.0.center/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852783299" />
     <state width="1897" height="281" key="GridCell.Tab.0.center/0.0.1536.824/-1920.2.1920.1040@0.0.1536.824" timestamp="1590795386434" />
-    <state width="1899" height="279" key="GridCell.Tab.0.center/0.0.1920.1040@0.0.1920.1040" timestamp="1594769549587" />
-    <state width="1899" height="348" key="GridCell.Tab.0.left" timestamp="1594852783299">
-      <screen x="-1920" y="2" width="1920" height="1040" />
+    <state width="1899" height="279" key="GridCell.Tab.0.center/0.0.1920.1040@0.0.1920.1040" timestamp="1594903350183" />
+    <state width="1899" height="279" key="GridCell.Tab.0.left" timestamp="1594903350183">
+      <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state width="1899" height="348" key="GridCell.Tab.0.left/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852783299" />
     <state width="1897" height="281" key="GridCell.Tab.0.left/0.0.1536.824/-1920.2.1920.1040@0.0.1536.824" timestamp="1590795386433" />
-    <state width="1899" height="279" key="GridCell.Tab.0.left/0.0.1920.1040@0.0.1920.1040" timestamp="1594769549587" />
-    <state width="1899" height="348" key="GridCell.Tab.0.right" timestamp="1594852783300">
-      <screen x="-1920" y="2" width="1920" height="1040" />
+    <state width="1899" height="279" key="GridCell.Tab.0.left/0.0.1920.1040@0.0.1920.1040" timestamp="1594903350183" />
+    <state width="1899" height="279" key="GridCell.Tab.0.right" timestamp="1594903350183">
+      <screen x="0" y="0" width="1920" height="1040" />
     </state>
     <state width="1899" height="348" key="GridCell.Tab.0.right/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852783300" />
     <state width="1897" height="281" key="GridCell.Tab.0.right/0.0.1536.824/-1920.2.1920.1040@0.0.1536.824" timestamp="1590795386434" />
-    <state width="1899" height="279" key="GridCell.Tab.0.right/0.0.1920.1040@0.0.1920.1040" timestamp="1594769549587" />
+    <state width="1899" height="279" key="GridCell.Tab.0.right/0.0.1920.1040@0.0.1920.1040" timestamp="1594903350183" />
     <state width="1899" height="348" key="GridCell.Tab.1.bottom" timestamp="1594852783301">
       <screen x="-1920" y="2" width="1920" height="1040" />
     </state>
diff --git a/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml b/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml
index 186f8b2..a6f87b7 100644
--- a/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml
+++ b/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml
@@ -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 22:31 7-15-2020">-1376877.765519179</h0>
+          <h0 units="J/mol" updated="Updated at 2:48 7-16-2020">-1376877.1544988335</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 22:11 7-15-2020">-4926549.797810851</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 22:11 7-15-2020">-4935519.640701385</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 22:11 7-15-2020">-4928317.781440989</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 22:11 7-15-2020">-4927428.65973482</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 22:11 7-15-2020">-4935155.356789877</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 22:11 7-15-2020">-4944228.17930387</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 22:11 7-15-2020">-4925606.187988869</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>
@@ -245,10 +245,10 @@
         </binarySaltParameters>
 
 		<binarySaltParameters anion="Cl-" cation="Pr+++">
-          <beta0 updated="Updated at 22:21 7-15-2020"> 0.58791088654164, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:21 7-15-2020"> 5.4483244544866825, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:53 7-16-2020"> 0.9335616000781043, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:53 7-16-2020"> 10.555396864028587, 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 22:11 7-15-2020"> -0.02066999867229882, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.02066999867229882, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -261,10 +261,10 @@
         </binarySaltParameters>
 		
         <binarySaltParameters anion="Cl-" cation="Nd+++">
-          <beta0 updated="Updated at 22:19 7-15-2020"> 0.8967941630491562, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:19 7-15-2020"> 9.427003409136933, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:36 7-16-2020"> 0.951206693355039, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:36 7-16-2020"> 9.262520235612426, 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 22:11 7-15-2020"> -0.01963615126026457, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.01963615126026457, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -277,10 +277,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="La+++">
-          <beta0 updated="Updated at 22:25 7-15-2020"> 0.5930012906158572, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:25 7-15-2020"> 5.277035446184885, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:48 7-16-2020"> 0.5362669407654791, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:48 7-16-2020"> 19.878544145607385, 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 22:11 7-15-2020"> -0.024339999997603376, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.024339999997603376, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -293,10 +293,10 @@
         </binarySaltParameters>
 		
         <binarySaltParameters anion="Cl-" cation="Dy+++">
-          <beta0 updated="Updated at 22:27 7-15-2020"> 0.6129503793974099, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:27 7-15-2020"> 5.359935242327716, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:48 7-16-2020"> 0.6129504699810289, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:48 7-16-2020"> 5.359936728131316, 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 22:11 7-15-2020"> -0.019699989216349984, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.019699989216349984, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -309,10 +309,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="Ce+++">
-          <beta0 updated="Updated at 22:23 7-15-2020"> 0.6005000281456716, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:23 7-15-2020"> 4.9100000484364354, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:2 7-16-2020"> 0.3803360903827252, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:2 7-16-2020"> 0.4715334506120701, 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 22:11 7-15-2020"> -0.02618999999473301, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.02618999999473301, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -325,10 +325,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="Y+++">
-          <beta0 updated="Updated at 22:31 7-15-2020"> 0.96563586407358, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:31 7-15-2020"> 8.514189357968196, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:26 7-16-2020"> 0.8864576562457522, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:26 7-16-2020"> 9.87156845120858, 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 22:11 7-15-2020"> -0.015467323909969704, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.015467323909969704, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -341,10 +341,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="Sm+++">
-          <beta0 updated="Updated at 22:29 7-15-2020"> 0.5977991609880217, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:29 7-15-2020"> 5.278978873123928, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:48 7-16-2020"> 0.6989806503460452, 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 22:11 7-15-2020"> -0.019920000110321332, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.019920000110321332, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
diff --git a/docs/Examples/iterative_fitter.py b/docs/Examples/iterative_fitter.py
index b8b5785..70196d6 100644
--- a/docs/Examples/iterative_fitter.py
+++ b/docs/Examples/iterative_fitter.py
@@ -91,7 +91,8 @@ ignore_list = []
 optimizer = 'scipy_minimize'
 output_dict = {'iter': [0],
                'best_obj': [1e20],
-               'rel_diff': [1e20]}
+               'rel_diff': [1e20],
+               'ext_h0': [1e20]}
 for species in species_list:
     output_dict['{0}_slope'.format(species)] = [1e20]
     output_dict['{0}_intercept'.format(species)] = [1e20]
@@ -103,6 +104,7 @@ while rel_diff > 1e-4:
     i += 1
     print(i)
     best_obj = 1e20
+    best_ext_h0 = 0
     output_dict['iter'].append(i)
     for species in species_list:
         print(species)
@@ -156,15 +158,27 @@ while rel_diff > 1e-4:
             optimizer_kwargs=optimizer_kwargs)
         if obj_value < best_obj:
             best_obj = obj_value
-        keys = list(opt_dict.keys())
+            best_ext_h0 = opt_dict['(HA)2(org)_h0']['input_value']
+
         for lin_param in lin_param_list:
-            mini_dict = opt_dict['{0}_{1}'.format(species, lin_param)] 
-            value = mini_dict['input_value']
-            output_dict['{0}_{1}'.format(species, lin_param)].append(value)
+            if '{0}_{1}'.format(species, lin_param) not in ignore_list:
+                mini_dict = opt_dict['{0}_{1}'.format(species, lin_param)]
+                value = mini_dict['input_value']
+                output_dict['{0}_{1}'.format(species, lin_param)].append(value)
+            else:
+                value = output_dict['{0}_{1}'.format(species, lin_param)][-1]
+                output_dict['{0}_{1}'.format(species, lin_param)].append(value)
         for pitzer_param in pitzer_param_list:
-            mini_dict = opt_dict['{0}_{1}'.format(species, pitzer_param)]
-            value = mini_dict['input_value']
-            output_dict['{0}_{1}'.format(species, pitzer_param)].append(value)
+            if '{0}_{1}'.format(species, pitzer_param) not in ignore_list:
+                mini_dict = opt_dict['{0}_{1}'.format(species, pitzer_param)]
+                value = mini_dict['input_value']
+                output_dict['{0}_{1}'.format(
+                    species, pitzer_param)].append(value)
+            else:
+                value = output_dict['{0}_{1}'.format(
+                    species, pitzer_param)][-1]
+                output_dict['{0}_{1}'.format(
+                    species, pitzer_param)].append(value)
         estimator.update_custom_objects_dict(info_dict)
         estimator.update_xml(opt_dict)
     pitzer_guess_dict = {'species': [],
@@ -204,11 +218,12 @@ while rel_diff > 1e-4:
     pitzer_guess_df = pd.DataFrame(pitzer_guess_dict)
     lin_guess_df = pd.DataFrame(lin_guess_dict)
 
+    output_dict['best_ext_h0'].append(best_ext_h0)
     output_dict['best_obj'].append(best_obj)
     output_dict['rel_diff'].append(100)
     output_df = pd.DataFrame(output_dict)
-    old_row = output_df.iloc[-2, :].values[3:]
-    new_row = output_df.iloc[-1, :].values[3:]
+    old_row = output_df.iloc[-2, :].values[4:]
+    new_row = output_df.iloc[-1, :].values[4:]
     rel_diff = np.sum(np.abs(new_row - old_row) / np.abs(old_row))
     del(output_dict['rel_diff'][-1])
     output_dict['rel_diff'].append(rel_diff)
diff --git a/docs/Examples/iterative_fitter_monitor.py b/docs/Examples/iterative_fitter_monitor.py
index a8e6f87..670cf6e 100644
--- a/docs/Examples/iterative_fitter_monitor.py
+++ b/docs/Examples/iterative_fitter_monitor.py
@@ -2,38 +2,47 @@ import matplotlib.pyplot as plt
 import pandas as pd
 
 go = 'y'
-parameters = 'slope,intercept,beta0,beta1,Cphi'.split(',')
-while go == 'y':
-    go = input('continue? ')
-    if go != 'y':
-        break
-    plt.close('all')
-    df = pd.read_csv('outputs/iterative_fitter_output_df.csv')
-    info_cols = {parameter: [] for parameter in parameters}
-    for col in df.columns:
-        for parameter in parameters:
-            if parameter in col:
-                info_cols[parameter].append(col)
+parameters = 'slope,intercept,beta0,beta1'.split(',')
+# while go == 'y':
+#     go = input('continue? ')
+#     if go != 'y':
+#         break
+#     plt.close('all')
+df = pd.read_csv('outputs/iterative_fitter_output.csv')
+info_cols = {parameter: [] for parameter in parameters}
+for col in df.columns:
     for parameter in parameters:
-        mini_df = df[info_cols[parameter]]
-        fig, ax = plt.subplots()
-        ax.set_title(parameter)
-        for col in info_cols[parameter]:
-            ax.plot(df['iters'].values,
-                    df[col].values,
-                    label=col,
-                    linestyle='-',
-                    marker='o')
-        ax.set_xlabel('iteration')
-        ax.set_ylabel('Value')
-        plt.legend()
-        plt.show()
+        if parameter in col:
+            info_cols[parameter].append(col)
+for parameter in parameters:
+    mini_df = df[info_cols[parameter]]
     fig, ax = plt.subplots()
-    ax.set_title('best_obj_value')
-    ax.plot(df['iters'].values,
-            df['best_obj'].values,
-            linestyle='-',
-            marker='o')
+    ax.set_title(parameter)
+    for col in info_cols[parameter]:
+        ax.plot(df['iter'].values[1:],
+                df[col].values[1:],
+                label=col,
+                linestyle='-',
+                marker='o')
     ax.set_xlabel('iteration')
     ax.set_ylabel('Value')
+    plt.legend()
     plt.show()
+fig, ax = plt.subplots()
+ax.set_title('best_obj_value')
+ax.plot(df['iter'].values[1:],
+        df['best_obj'].values[1:],
+        linestyle='-',
+        marker='o')
+ax.set_xlabel('iteration')
+ax.set_ylabel('Value')
+plt.show()
+fig, ax = plt.subplots()
+ax.set_title('rel_diff')
+ax.plot(df['iter'].values[1:],
+        df['rel_diff'].values[1:],
+        linestyle='-',
+        marker='o')
+ax.set_xlabel('iteration')
+ax.set_ylabel('Value')
+plt.show()
\ No newline at end of file
diff --git a/docs/Examples/outputs/temp.xml b/docs/Examples/outputs/temp.xml
index 186f8b2..a71d992 100644
--- a/docs/Examples/outputs/temp.xml
+++ b/docs/Examples/outputs/temp.xml
@@ -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 22:31 7-15-2020">-1376877.765519179</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 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 22:11 7-15-2020">-4926549.797810851</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4933435.73807457</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 22:11 7-15-2020">-4935519.640701385</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4936620.461887979</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 22:11 7-15-2020">-4928317.781440989</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4932173.388635787</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 22:11 7-15-2020">-4927428.65973482</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4991281.90783811</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 22:11 7-15-2020">-4935155.356789877</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4935739.024047113</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 22:11 7-15-2020">-4944228.17930387</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4944084.986155681</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 22:11 7-15-2020">-4925606.187988869</h0>
+          <h0 units="J/mol" updated="Updated at 2:49 7-16-2020">-4924682.918862937</h0>
           <s0 units="J/mol/K"> 1117.965 </s0>
           <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
@@ -245,10 +245,10 @@
         </binarySaltParameters>
 
 		<binarySaltParameters anion="Cl-" cation="Pr+++">
-          <beta0 updated="Updated at 22:21 7-15-2020"> 0.58791088654164, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:21 7-15-2020"> 5.4483244544866825, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:53 7-16-2020"> 0.9335616000781043, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:53 7-16-2020"> 10.555396864028587, 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 22:11 7-15-2020"> -0.02066999867229882, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.02066999867229882, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -261,10 +261,10 @@
         </binarySaltParameters>
 		
         <binarySaltParameters anion="Cl-" cation="Nd+++">
-          <beta0 updated="Updated at 22:19 7-15-2020"> 0.8967941630491562, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:19 7-15-2020"> 9.427003409136933, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:36 7-16-2020"> 0.951206693355039, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:36 7-16-2020"> 9.262520235612426, 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 22:11 7-15-2020"> -0.01963615126026457, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.01963615126026457, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -277,10 +277,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="La+++">
-          <beta0 updated="Updated at 22:25 7-15-2020"> 0.5930012906158572, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:25 7-15-2020"> 5.277035446184885, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:48 7-16-2020"> 0.5362669407654791, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:48 7-16-2020"> 19.878544145607385, 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 22:11 7-15-2020"> -0.024339999997603376, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.024339999997603376, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -293,10 +293,10 @@
         </binarySaltParameters>
 		
         <binarySaltParameters anion="Cl-" cation="Dy+++">
-          <beta0 updated="Updated at 22:27 7-15-2020"> 0.6129503793974099, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:27 7-15-2020"> 5.359935242327716, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:48 7-16-2020"> 0.6129504699810289, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:48 7-16-2020"> 5.359936728131316, 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 22:11 7-15-2020"> -0.019699989216349984, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.019699989216349984, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -309,10 +309,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="Ce+++">
-          <beta0 updated="Updated at 22:23 7-15-2020"> 0.6005000281456716, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:23 7-15-2020"> 4.9100000484364354, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:2 7-16-2020"> 0.3803360903827252, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:2 7-16-2020"> 0.4715334506120701, 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 22:11 7-15-2020"> -0.02618999999473301, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.02618999999473301, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -325,10 +325,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="Y+++">
-          <beta0 updated="Updated at 22:31 7-15-2020"> 0.96563586407358, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:31 7-15-2020"> 8.514189357968196, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:26 7-16-2020"> 0.8864576562457522, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:26 7-16-2020"> 9.87156845120858, 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 22:11 7-15-2020"> -0.015467323909969704, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.015467323909969704, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
@@ -341,10 +341,10 @@
         </binarySaltParameters>
 		
 		<binarySaltParameters anion="Cl-" cation="Sm+++">
-          <beta0 updated="Updated at 22:29 7-15-2020"> 0.5977991609880217, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 22:29 7-15-2020"> 5.278978873123928, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:49 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 22:11 7-15-2020"> -0.019920000110321332, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:0 7-15-2020"> -0.019920000110321332, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>