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LLEPE
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changed temp file to outputs/temp.xml

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pull/1/head
titusquah 5 years ago
parent af1780ec5a
commit 0d90e4a996
2 changed files with 26 additions and 11 deletions
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27
.idea/workspace.xml
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@ -1,9 +1,9 @@
<?xml version="1.0" encoding="UTF-8"?> <?xml version="1.0" encoding="UTF-8"?>
<project version="4"> <project version="4">
<component name="ChangeListManager"> <component name="ChangeListManager">
<list default="true" id="f4439dc0-6756-4612-8f7d-596d8949f300" name="Default Changelist" comment="removed 'r' when accessing package files"> <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="$PROJECT_DIR$/.idea/workspace.xml" beforeDir="false" afterPath="$PROJECT_DIR$/.idea/workspace.xml" afterDir="false" />
<change beforePath="$PROJECT_DIR$/llepe/llepe.py" beforeDir="false" afterPath="$PROJECT_DIR$/llepe/llepe.py" afterDir="false" /> <change beforePath="$PROJECT_DIR$/docs/examples/iterative_fitter.py" beforeDir="false" afterPath="$PROJECT_DIR$/docs/examples/iterative_fitter.py" afterDir="false" />
</list> </list>
<option name="SHOW_DIALOG" value="false" /> <option name="SHOW_DIALOG" value="false" />
<option name="HIGHLIGHT_CONFLICTS" value="true" /> <option name="HIGHLIGHT_CONFLICTS" value="true" />
@ -294,7 +294,21 @@
<option name="project" value="LOCAL" /> <option name="project" value="LOCAL" />
<updated>1594770234669</updated> <updated>1594770234669</updated>
</task> </task>
<option name="localTasksCounter" value="19" /> <task id="LOCAL-00019" summary="flipped backslashes for package files">
<created>1594770416403</created>
<option name="number" value="00019" />
<option name="presentableId" value="LOCAL-00019" />
<option name="project" value="LOCAL" />
<updated>1594770416403</updated>
</task>
<task id="LOCAL-00020" summary="flipped backslashes for package files">
<created>1594770453193</created>
<option name="number" value="00020" />
<option name="presentableId" value="LOCAL-00020" />
<option name="project" value="LOCAL" />
<updated>1594770453193</updated>
</task>
<option name="localTasksCounter" value="21" />
<servers /> <servers />
</component> </component>
<component name="Vcs.Log.Tabs.Properties"> <component name="Vcs.Log.Tabs.Properties">
@ -323,7 +337,8 @@
<MESSAGE value="changed xml_path in iterative_fitter.py and added iterative_fitter_monitor.py" /> <MESSAGE value="changed xml_path in iterative_fitter.py and added iterative_fitter_monitor.py" />
<MESSAGE value="updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled" /> <MESSAGE value="updated zeroes_removed_PC88A_HCL_NdPrCeLaDySmY.csv to be labeled" />
<MESSAGE value="removed 'r' when accessing package files" /> <MESSAGE value="removed 'r' when accessing package files" />
<option name="LAST_COMMIT_MESSAGE" value="removed 'r' when accessing package files" /> <MESSAGE value="flipped backslashes for package files" />
<option name="LAST_COMMIT_MESSAGE" value="flipped backslashes for package files" />
</component> </component>
<component name="WindowStateProjectService"> <component name="WindowStateProjectService">
<state x="-1330" y="212" key="#Inspections" timestamp="1590787654691"> <state x="-1330" y="212" key="#Inspections" timestamp="1590787654691">
@ -347,11 +362,11 @@
<screen x="-1920" y="2" width="1920" height="1040" /> <screen x="-1920" y="2" width="1920" height="1040" />
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<screen x="0" y="0" width="1920" height="1040" /> <screen x="0" y="0" width="1920" height="1040" />
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<state x="836" y="163" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594770413805" /> <state x="836" y="163" key="CommitChangelistDialog2/0.0.1920.1040@0.0.1920.1040" timestamp="1594770665407" />
<state x="-1828" y="94" width="1736" height="856" key="DiffContextDialog" timestamp="1591048879404"> <state x="-1828" y="94" width="1736" height="856" key="DiffContextDialog" timestamp="1591048879404">
<screen x="-1920" y="2" width="1920" height="1040" /> <screen x="-1920" y="2" width="1920" height="1040" />
</state> </state>

10
data/xmls/PC88A_HCL_NdPrCeLaDySmY_w_pitzer.xml
Unescape View File

@ -33,7 +33,7 @@
<thermo> <thermo>
<const_cp Tmax="300.0" Tmin="298.0"> <const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0> <t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 17:38 7-14-2020">-1459500.0</h0> <h0 units="J/mol" updated="Updated at 17:50 7-14-2020">-1459500.0</h0>
<s0 units="J/mol/K"> 558.9824 </s0> <s0 units="J/mol/K"> 558.9824 </s0>
<cp0 units="J/mol/K"> 0.0</cp0> <cp0 units="J/mol/K"> 0.0</cp0>
</const_cp> </const_cp>
@ -50,7 +50,7 @@
<const_cp Tmax="300.0" Tmin="298.0"> <const_cp Tmax="300.0" Tmin="298.0">
<t0 units="K">298.14999999999998</t0> <t0 units="K">298.14999999999998</t0>
<h0 units="J/mol" updated="Updated at 17:38 7-14-2020">-5178500.0</h0> <h0 units="J/mol" updated="Updated at 17:50 7-14-2020">-5178500.0</h0>
<s0 units="J/mol/K"> 1117.965 </s0> <s0 units="J/mol/K"> 1117.965 </s0>
<cp0 units="J/mol/K">0.0</cp0> <cp0 units="J/mol/K">0.0</cp0>
</const_cp> </const_cp>
@ -261,10 +261,10 @@
</binarySaltParameters> </binarySaltParameters>
<binarySaltParameters anion="Cl-" cation="Nd+++"> <binarySaltParameters anion="Cl-" cation="Nd+++">
<beta0 updated="Updated at 17:38 7-14-2020"> 0.5877, 0.0, 0.0, 0.0, 0.0 </beta0> <beta0 updated="Updated at 17:50 7-14-2020"> 0.5877, 0.0, 0.0, 0.0, 0.0 </beta0>
<beta1 updated="Updated at 17:38 7-14-2020"> 5.206, 0.0, 0.0, 0.0, 0.0 </beta1> <beta1 updated="Updated at 17:50 7-14-2020"> 5.206, 0.0, 0.0, 0.0, 0.0 </beta1>
<beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2> <beta2> 0.0, 0.0, 0.0, 0.0, 0.0 </beta2>
<Cphi updated="Updated at 17:38 7-14-2020"> -0.01969, 0.0, 0.0, 0.0, 0.0 </Cphi> <Cphi updated="Updated at 17:50 7-14-2020"> -0.01969, 0.0, 0.0, 0.0, 0.0 </Cphi>
<Alpha1> 2 </Alpha1> <Alpha1> 2 </Alpha1>
<Alpha2> 0 </Alpha2> <Alpha2> 0 </Alpha2>
<source> <source>

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