From 1ad6d8e92561fcd015b66d149473faecf56bd107 Mon Sep 17 00:00:00 2001
From: titusquah <46580668+titusquah@users.noreply.github.com>
Date: Wed, 15 Jul 2020 16:37:03 -0600
Subject: [PATCH] Added new feature to include custom_object_dicts where user
 can optimize parameters in the dependent_params_dict.

---
 .idea/workspace.xml                           | 126 ++++++++++++------
 data/jsons/min_h0_pitzer_params.txt           |   1 +
 .../xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml |  58 ++++----
 data/xmls/twophase.xml                        |   2 +-
 docs/Examples/iterative_fitter_monitor.py     |   2 +
 docs/Examples/outputs/temp.xml                |  58 ++++----
 llepe/llepe.py                                |  53 +++++++-
 7 files changed, 198 insertions(+), 102 deletions(-)
 create mode 100644 data/jsons/min_h0_pitzer_params.txt

diff --git a/.idea/workspace.xml b/.idea/workspace.xml
index e5089d7..c433b0b 100644
--- a/.idea/workspace.xml
+++ b/.idea/workspace.xml
@@ -3,6 +3,11 @@
   <component name="ChangeListManager">
     <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="$PROJECT_DIR$/data/xmls/twophase.xml" beforeDir="false" afterPath="$PROJECT_DIR$/data/xmls/twophase.xml" 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" />
+      <change beforePath="$PROJECT_DIR$/docs/Examples/outputs/temp.xml" beforeDir="false" afterPath="$PROJECT_DIR$/docs/Examples/outputs/temp.xml" afterDir="false" />
+      <change beforePath="$PROJECT_DIR$/llepe/llepe.py" beforeDir="false" afterPath="$PROJECT_DIR$/llepe/llepe.py" afterDir="false" />
     </list>
     <option name="SHOW_DIALOG" value="false" />
     <option name="HIGHLIGHT_CONFLICTS" value="true" />
@@ -41,16 +46,16 @@
     <property name="settings.editor.selected.configurable" value="preferences.sourceCode" />
   </component>
   <component name="RunManager" selected="Python.iterative_fitter">
-    <configuration name="estimator_eval" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
+    <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="" />
       <option name="PARENT_ENVS" value="true" />
       <option name="SDK_HOME" value="" />
-      <option name="WORKING_DIRECTORY" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/multi_re_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/multi_re_fit/estimator_eval.py" />
+      <option name="SCRIPT_NAME" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/pitzer_parameter_explore/code/eval_mod_lin_params_const_pitzer.py" />
       <option name="PARAMETERS" value="" />
       <option name="SHOW_COMMAND_LINE" value="true" />
       <option name="EMULATE_TERMINAL" value="false" />
@@ -59,16 +64,19 @@
       <option name="INPUT_FILE" value="" />
       <method v="2" />
     </configuration>
-    <configuration name="fit" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
+    <configuration name="grapher_obj_func" 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="$PROJECT_DIR$/../../parameter estimation/parameter estimation" />
+      <option name="WORKING_DIRECTORY" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/one_rare_earth_fit" />
       <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="$PROJECT_DIR$/../../parameter estimation/parameter estimation/fit.py" />
+      <option name="SCRIPT_NAME" value="$PROJECT_DIR$/../../anl_box/Box Sync/titus/one_rare_earth_fit/grapher_obj_func.py" />
       <option name="PARAMETERS" value="" />
       <option name="SHOW_COMMAND_LINE" value="true" />
       <option name="EMULATE_TERMINAL" value="false" />
@@ -77,16 +85,16 @@
       <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" />
       <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" />
@@ -95,16 +103,16 @@
       <option name="INPUT_FILE" value="" />
       <method v="2" />
     </configuration>
-    <configuration name="grapher_pitzer_sens_anal" 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="$PROJECT_DIR$/../../anl_box/Box Sync/titus/pitzer_parameter_explore/code/grapher_pitzer_sens_anal.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" />
@@ -113,16 +121,16 @@
       <option name="INPUT_FILE" value="" />
       <method v="2" />
     </configuration>
-    <configuration name="iterative_fitter" type="PythonConfigurationType" factoryName="Python" temporary="true" nameIsGenerated="true">
+    <configuration name="scratch_3" 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="$PROJECT_DIR$/docs/examples" />
-      <option name="IS_MODULE_SDK" value="true" />
+      <option name="WORKING_DIRECTORY" value="$APPLICATION_CONFIG_DIR$/scratches" />
+      <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="$PROJECT_DIR$/docs/examples/iterative_fitter.py" />
+      <option name="SCRIPT_NAME" value="$APPLICATION_CONFIG_DIR$/scratches/scratch_3.py" />
       <option name="PARAMETERS" value="" />
       <option name="SHOW_COMMAND_LINE" value="true" />
       <option name="EMULATE_TERMINAL" value="false" />
@@ -134,10 +142,10 @@
     <recent_temporary>
       <list>
         <item itemvalue="Python.iterative_fitter" />
-        <item itemvalue="Python.iterative_fitter" />
-        <item itemvalue="Python.grapher_obj_func" />
-        <item itemvalue="Python.fit" />
-        <item itemvalue="Python.grapher_obj_func" />
+        <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>
@@ -335,7 +343,14 @@
       <option name="project" value="LOCAL" />
       <updated>1594785526950</updated>
     </task>
-    <option name="localTasksCounter" value="25" />
+    <task id="LOCAL-00025" summary="updated iterative_fitter.py to have more feedback">
+      <created>1594785960460</created>
+      <option name="number" value="00025" />
+      <option name="presentableId" value="LOCAL-00025" />
+      <option name="project" value="LOCAL" />
+      <updated>1594785960460</updated>
+    </task>
+    <option name="localTasksCounter" value="26" />
     <servers />
   </component>
   <component name="Vcs.Log.Tabs.Properties">
@@ -368,7 +383,8 @@
     <MESSAGE value="changed temp file to outputs/temp.xml" />
     <MESSAGE value="add outputs folder to examples" />
     <MESSAGE value="updated iterative_fitter_monitor.py" />
-    <option name="LAST_COMMIT_MESSAGE" value="updated iterative_fitter_monitor.py" />
+    <MESSAGE value="updated iterative_fitter.py to have more feedback" />
+    <option name="LAST_COMMIT_MESSAGE" value="updated iterative_fitter.py to have more feedback" />
   </component>
   <component name="WindowStateProjectService">
     <state x="-1330" y="212" key="#Inspections" timestamp="1590787654691">
@@ -384,18 +400,18 @@
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-    <state x="-1506" y="178" width="1092" height="706" key="#com.intellij.execution.impl.EditConfigurationsDialog" timestamp="1590784453144">
+    <state x="-1506" y="178" width="1092" height="706" key="#com.intellij.execution.impl.EditConfigurationsDialog" timestamp="1594852365067">
       <screen x="-1920" y="2" width="1920" height="1040" />
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+    <state x="-1506" y="178" width="1092" height="706" key="#com.intellij.execution.impl.EditConfigurationsDialog/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852365067" />
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-    <state x="-1364" y="117" key="CommitChangelistDialog2" timestamp="1594785887392">
+    <state x="-1364" y="117" key="CommitChangelistDialog2" timestamp="1594852619522">
       <screen x="-1920" y="2" width="1920" height="1040" />
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-    <state x="-1364" y="117" key="CommitChangelistDialog2/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594785887392" />
+    <state x="-1364" y="117" key="CommitChangelistDialog2/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852619522" />
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@@ -410,30 +426,46 @@
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+      <screen x="-1920" y="2" width="1920" height="1040" />
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+      <screen x="-1920" y="2" width="1920" height="1040" />
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+    <state width="1899" height="348" key="GridCell.Tab.1.center/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852467310" />
+    <state width="1899" height="348" key="GridCell.Tab.1.left" timestamp="1594852467309">
+      <screen x="-1920" y="2" width="1920" height="1040" />
+    </state>
+    <state width="1899" height="348" key="GridCell.Tab.1.left/0.0.1536.824/-1920.2.1920.1040@-1920.2.1920.1040" timestamp="1594852467309" />
+    <state width="1899" height="348" key="GridCell.Tab.1.right" timestamp="1594852467310">
+      <screen x="-1920" y="2" width="1920" height="1040" />
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@@ -485,7 +517,19 @@
           <line>9</line>
           <option name="timeStamp" value="1" />
         </line-breakpoint>
+        <line-breakpoint enabled="true" suspend="THREAD" type="python-line">
+          <url>file://$PROJECT_DIR$/docs/examples/iterative_fitter.py</url>
+          <line>26</line>
+          <option name="timeStamp" value="5" />
+        </line-breakpoint>
       </breakpoints>
+      <default-breakpoints>
+        <breakpoint type="python-exception">
+          <properties notifyOnTerminate="true" exception="BaseException">
+            <option name="notifyOnTerminate" value="true" />
+          </properties>
+        </breakpoint>
+      </default-breakpoints>
     </breakpoint-manager>
   </component>
 </project>
\ No newline at end of file
diff --git a/data/jsons/min_h0_pitzer_params.txt b/data/jsons/min_h0_pitzer_params.txt
new file mode 100644
index 0000000..a0b7d99
--- /dev/null
+++ b/data/jsons/min_h0_pitzer_params.txt
@@ -0,0 +1 @@
+{"Ce_beta0": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Ce+++", "lower_element_name": "beta0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 0.6005000182766684}, "Ce_beta1": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Ce+++", "lower_element_name": "beta1", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 4.910000193972841}, "Ce_Cphi": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Ce+++", "lower_element_name": "Cphi", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": -0.02618999999473301}, "Dy_beta0": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Dy+++", "lower_element_name": "beta0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 0.612950248542597}, "Dy_beta1": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Dy+++", "lower_element_name": "beta1", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 5.3599329374557385}, "Dy_Cphi": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Dy+++", "lower_element_name": "Cphi", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": -0.019699989216349984}, "La_beta0": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "La+++", "lower_element_name": "beta0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 0.5929999713109059}, "La_beta1": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "La+++", "lower_element_name": "beta1", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 5.2769992484445485}, "La_Cphi": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "La+++", "lower_element_name": "Cphi", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": -0.024339999997603376}, "Nd_beta0": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Nd+++", "lower_element_name": "beta0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 0.7459775851223264}, "Nd_beta1": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Nd+++", "lower_element_name": "beta1", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 7.68392131299453}, "Nd_Cphi": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Nd+++", "lower_element_name": "Cphi", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": -0.01963615126026457}, "Pr_beta0": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Pr+++", "lower_element_name": "beta0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 0.5879108393945309}, "Pr_beta1": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Pr+++", "lower_element_name": "beta1", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 5.4483234694357385}, "Pr_Cphi": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Pr+++", "lower_element_name": "Cphi", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": -0.02066999867229882}, "Sm_beta0": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Sm+++", "lower_element_name": "beta0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 0.5977991228263208}, "Sm_beta1": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Sm+++", "lower_element_name": "beta1", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 5.278978156246855}, "Sm_Cphi": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Sm+++", "lower_element_name": "Cphi", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": -0.019920000110321332}, "Y_beta0": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Y+++", "lower_element_name": "beta0", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 0.9656352678202726}, "Y_beta1": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Y+++", "lower_element_name": "beta1", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": 8.514180603037651}, "Y_Cphi": {"upper_element_name": "binarySaltParameters", "upper_attrib_name": "cation", "upper_attrib_value": "Y+++", "lower_element_name": "Cphi", "lower_attrib_name": null, "lower_attrib_value": null, "input_format": " {0}, 0.0, 0.0, 0.0, 0.0 ", "input_value": -0.015467323909969704}}
\ No newline at end of file
diff --git a/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml b/data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml
index effd3c4..934bb8a 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 17:50 7-14-2020">-1459500.0</h0>
+          <h0 units="J/mol" updated="Updated at 8:35 7-15-2020">-1459900.0</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 17:50 7-14-2020">-5178500.0</h0>
+          <h0 units="J/mol" updated="Updated at 8:35 7-15-2020">-5178185.714285715</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 9:15 7-14-2020">-1987389.753778593</h0>
+          <h0 units="J/mol" updated="Updated at 23:12 7-14-2020">-5177400.0</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 9:15 7-14-2020">-1979346.232242925</h0>
+          <h0 units="J/mol" updated="Updated at 23:48 7-14-2020">-5177400.0</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 9:15 7-14-2020">-1979095.7087687952</h0>
+          <h0 units="J/mol" updated="Updated at 1:32 7-15-2020">-5177400.0</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 9:15 7-14-2020">-1979518.3587197603</h0>
+          <h0 units="J/mol" updated="Updated at 2:1 7-15-2020">-5177400.0</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 9:15 7-14-2020">-1997266.6892106486</h0>
+          <h0 units="J/mol" updated="Updated at 3:3 7-15-2020">-5178028.571428572</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 9:15 7-14-2020">-1976678.5252282412</h0>
+          <h0 units="J/mol" updated="Updated at 2:24 7-15-2020">-5177400.0</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 9:15 7-14-2020"> 0.5278102798121455, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 4.785988176310507, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 23:15 7-14-2020"> 1.229318338775545, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 23:15 7-14-2020"> 7.705236327609295, 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 9:15 7-14-2020"> -0.020676879473540816, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:15 7-14-2020"> -0.020355000251503143, 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 17:50 7-14-2020"> 0.5877, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 17:50 7-14-2020"> 5.206, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 8:35 7-15-2020"> 0.5877, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 8:35 7-15-2020"> 5.206, 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 17:50 7-14-2020"> -0.01969, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 8:35 7-15-2020"> -0.01969, 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 9:15 7-14-2020"> 0.5899801656939334, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 5.2501373713255015, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:35 7-15-2020"> 1.199616118936196, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:35 7-15-2020"> 13.377018086968107, 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 9:15 7-14-2020"> -0.024346940036902652, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 1:35 7-15-2020"> -0.023995730879246852, 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 9:15 7-14-2020"> 0.5596867100821611, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 10.342085390765986, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:4 7-15-2020"> 0.6129037619837437, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:4 7-15-2020"> 5.359070120380359, 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 9:15 7-14-2020"> -0.019685111861351003, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 2:4 7-15-2020"> -0.01969999915450973, 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 9:15 7-14-2020"> 0.6810742399099214, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 5.317778808636538, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 23:50 7-14-2020"> 0.4845924897449592, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 23:50 7-14-2020"> 0.49100000000000005, 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 9:15 7-14-2020"> -0.026217518942691358, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:50 7-14-2020"> -0.026227452256417736, 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 9:15 7-14-2020"> 0.8868493033190087, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 9.868500461244988, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 3:3 7-15-2020"> 0.6248, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 3:3 7-15-2020"> 5.66, 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 9:15 7-14-2020"> -0.03051604910307843, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 3:3 7-15-2020"> -0.01563, 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 9:15 7-14-2020"> 0.5872950937394924, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 6.850703030567289, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:25 7-15-2020"> 0.5977999158894437, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:25 7-15-2020"> 5.278997937589517, 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 9:15 7-14-2020"> -0.020035536849683018, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 2:25 7-15-2020"> -0.019920000010410537, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
diff --git a/data/xmls/twophase.xml b/data/xmls/twophase.xml
index ad31460..1d0d109 100644
--- a/data/xmls/twophase.xml
+++ b/data/xmls/twophase.xml
@@ -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 10:50 7-14-2020">-4704699.156668724</h0> 
+	   <h0 units="J/mol" updated="Updated at 15:42 7-15-2020">-4704699.156668724</h0> 
 	   <s0 units="J/mol/K"> 1117.965 </s0>  
            <cp0 units="J/mol/K">0.0</cp0>
         </const_cp>
diff --git a/docs/Examples/iterative_fitter_monitor.py b/docs/Examples/iterative_fitter_monitor.py
index a6c2370..a8e6f87 100644
--- a/docs/Examples/iterative_fitter_monitor.py
+++ b/docs/Examples/iterative_fitter_monitor.py
@@ -5,6 +5,8 @@ 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}
diff --git a/docs/Examples/outputs/temp.xml b/docs/Examples/outputs/temp.xml
index effd3c4..d80dbed 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 17:50 7-14-2020">-1459500.0</h0>
+          <h0 units="J/mol" updated="Updated at 8:38 7-15-2020">-1459198.8844613198</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 17:50 7-14-2020">-5178500.0</h0>
+          <h0 units="J/mol" updated="Updated at 8:38 7-15-2020">-5175444.519388912</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 9:15 7-14-2020">-1987389.753778593</h0>
+          <h0 units="J/mol" updated="Updated at 23:12 7-14-2020">-5177400.0</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 9:15 7-14-2020">-1979346.232242925</h0>
+          <h0 units="J/mol" updated="Updated at 23:48 7-14-2020">-5177400.0</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 9:15 7-14-2020">-1979095.7087687952</h0>
+          <h0 units="J/mol" updated="Updated at 1:32 7-15-2020">-5177400.0</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 9:15 7-14-2020">-1979518.3587197603</h0>
+          <h0 units="J/mol" updated="Updated at 2:1 7-15-2020">-5177400.0</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 9:15 7-14-2020">-1997266.6892106486</h0>
+          <h0 units="J/mol" updated="Updated at 3:3 7-15-2020">-5178028.571428572</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 9:15 7-14-2020">-1976678.5252282412</h0>
+          <h0 units="J/mol" updated="Updated at 2:24 7-15-2020">-5177400.0</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 9:15 7-14-2020"> 0.5278102798121455, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 4.785988176310507, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 23:15 7-14-2020"> 1.229318338775545, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 23:15 7-14-2020"> 7.705236327609295, 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 9:15 7-14-2020"> -0.020676879473540816, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:15 7-14-2020"> -0.020355000251503143, 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 17:50 7-14-2020"> 0.5877, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 17:50 7-14-2020"> 5.206, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 8:38 7-15-2020"> 0.5877002957806856, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 8:38 7-15-2020"> 5.206006553934264, 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 17:50 7-14-2020"> -0.01969, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 8:38 7-15-2020"> -0.019689999106840612, 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 9:15 7-14-2020"> 0.5899801656939334, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 5.2501373713255015, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 1:35 7-15-2020"> 1.199616118936196, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 1:35 7-15-2020"> 13.377018086968107, 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 9:15 7-14-2020"> -0.024346940036902652, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 1:35 7-15-2020"> -0.023995730879246852, 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 9:15 7-14-2020"> 0.5596867100821611, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 10.342085390765986, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:4 7-15-2020"> 0.6129037619837437, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:4 7-15-2020"> 5.359070120380359, 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 9:15 7-14-2020"> -0.019685111861351003, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 2:4 7-15-2020"> -0.01969999915450973, 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 9:15 7-14-2020"> 0.6810742399099214, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 5.317778808636538, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 23:50 7-14-2020"> 0.4845924897449592, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 23:50 7-14-2020"> 0.49100000000000005, 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 9:15 7-14-2020"> -0.026217518942691358, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 23:50 7-14-2020"> -0.026227452256417736, 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 9:15 7-14-2020"> 0.8868493033190087, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 9.868500461244988, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 3:3 7-15-2020"> 0.6248, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 3:3 7-15-2020"> 5.66, 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 9:15 7-14-2020"> -0.03051604910307843, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 3:3 7-15-2020"> -0.01563, 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 9:15 7-14-2020"> 0.5872950937394924, 0.0, 0.0, 0.0, 0.0 </beta0>
-          <beta1 updated="Updated at 9:15 7-14-2020"> 6.850703030567289, 0.0, 0.0, 0.0, 0.0 </beta1>
+          <beta0 updated="Updated at 2:25 7-15-2020"> 0.5977999158894437, 0.0, 0.0, 0.0, 0.0 </beta0>
+          <beta1 updated="Updated at 2:25 7-15-2020"> 5.278997937589517, 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 9:15 7-14-2020"> -0.020035536849683018, 0.0, 0.0, 0.0, 0.0 </Cphi>
+          <Cphi updated="Updated at 2:25 7-15-2020"> -0.019920000010410537, 0.0, 0.0, 0.0, 0.0 </Cphi>
           <Alpha1> 2 </Alpha1>
           <Alpha2> 0 </Alpha2>
           <source>
diff --git a/llepe/llepe.py b/llepe/llepe.py
index 01d7cfa..d397ce6 100644
--- a/llepe/llepe.py
+++ b/llepe/llepe.py
@@ -261,6 +261,8 @@ class LLEPE:
         dependent_param is a function of.
 
         See example code for usage.
+    :param custom_objects_dict: (dict) dictionary containing custom objects
+        format: {<object_name_string>: <object>,...}
     """
 
     def __init__(self,
@@ -281,6 +283,7 @@ class LLEPE:
                  optimizer='scipy_minimize',
                  temp_xml_file_path=None,
                  dependant_params_dict=None,
+                 custom_objects_dict=None
                  ):
         self._built_in_obj_list = ['Log-MSE']
         self._built_in_opt_list = ['scipy_minimize']
@@ -305,6 +308,7 @@ class LLEPE:
             temp_xml_file_path = r'{0}/temp.xml'.format(os.getenv('TEMP'))
         self._temp_xml_file_path = temp_xml_file_path
         self._dependant_params_dict = dependant_params_dict
+        self._custom_objects_dict = custom_objects_dict
         # Try and except for adding package data to path.
         # This only works for sdist, not bdist
         # If bdist is needed, research "manifest.in" python setup files
@@ -893,6 +897,23 @@ class LLEPE:
         self._dependant_params_dict = dependant_params_dict
         return None
 
+    def get_custom_objects_dict(self):
+        """
+        Returns the custom_objects_dict
+        :return: custom_objects_dict: (dict) dictionary containing
+            information about custom objects from user
+        """
+        return self._custom_objects_dict
+
+    def set_custom_objects_dict(self, custom_objects_dict):
+        """
+        Sets the custom_objects_dict
+        :param custom_objects_dict: (dict) dictionary containing information
+        about about custom objects from user
+        """
+        self._custom_objects_dict = custom_objects_dict
+        return None
+
     def update_predicted_dict(self,
                               phases_xml_filename=None,
                               phase_names=None):
@@ -985,6 +1006,7 @@ class LLEPE:
         objective_function = self._objective_function
         opt_dict = copy.deepcopy(self._opt_dict)
         dep_dict = copy.deepcopy(self._dependant_params_dict)
+        custom_objects_dict = copy.deepcopy(self._custom_objects_dict)
         x = np.array(x)
 
         if len(x.shape) == 1:
@@ -1000,6 +1022,8 @@ class LLEPE:
                         x[ind]):  # if nan, do not update xml with nan
                     opt_dict[param_name]['input_value'] *= x[ind]
 
+            if custom_objects_dict is not None:
+                self.update_custom_objects_dict(opt_dict)
             self.update_xml(opt_dict,
                             temp_xml_file_path,
                             dependant_params_dict=dep_dict)
@@ -1070,8 +1094,8 @@ class LLEPE:
                    dependant_params_dict=None):
         """updates xml file with info_dict
 
-        :param info_dict: (dict) info in {species_names:{thermo_prop:val}}
-            Requires an identical structure to opt_dict
+        :param info_dict: (dict) Requires an identical structure to opt_dict
+            Ignores items with keys containing "custom_object_name"
         :param phases_xml_filename: (str) xml filename if editing other xml
             If ``None``, the current xml will be modified and the internal
             Cantera phases will be refreshed to the new values.
@@ -1110,6 +1134,8 @@ class LLEPE:
         for key in list(new_dict.keys()):
             d = new_dict[key]
             now = datetime.now()
+            if 'custom_object_name' in list(d.keys()):
+                continue
             if (d['upper_attrib_name'] is not None
                     and d['lower_attrib_name'] is not None):
                 for child1 in root.iter(d['upper_element_name']):
@@ -1166,6 +1192,29 @@ class LLEPE:
             self.set_phases(self._phases_xml_filename, self._phase_names)
         return None
 
+    def update_custom_objects_dict(self, info_dict):
+        """
+        updates internal custom_objects_dict with info_dict
+        :param info_dict: Requires an identical structure to opt_dict
+            Ignores items with keys containing "custom_object_name"
+        :return: None.
+        """
+        custom_objects_dict = copy.deepcopy(self._custom_objects_dict)
+        for key in list(info_dict.keys()):
+            d = info_dict[key]
+            if 'upper_element_name' in list(d.keys()):
+                continue
+            func = d['function']
+            value = d['input_value']
+            kwargs = d['kwargs']
+            object_name = d['custom_object_name']
+            new_object = func(custom_objects_dict[object_name],
+                              value,
+                              **kwargs)
+            custom_objects_dict[object_name] = new_object
+        self._custom_objects_dict = custom_objects_dict
+        return None
+
     def parity_plot(self,
                     compared_value=None,
                     c_data=None,