mirror of
https://github.com/ANL-CEEESA/LLEPE.git
synced 2025-12-06 01:48:53 -06:00
Allow user to change optimizer and objective function. Also added r-squared evaluator. Changed temp file location to user temp folder. Added a prediction dictionary to access the values predicted by model.
This commit is contained in:
titusquah
5
.idea/dictionaries/Titus.xml
generated
5
.idea/dictionaries/Titus.xml
generated
@@ -2,16 +2,21 @@
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<dictionary name="Titus">
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<words>
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<w>coeffs</w>
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<w>conc</w>
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<w>diluant</w>
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<w>disp</w>
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<w>dodecane</w>
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<w>equilibrate</w>
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<w>extractant</w>
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<w>ftol</w>
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<w>kmol</w>
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<w>lmse</w>
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<w>maxiter</w>
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<w>ndarray</w>
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<w>pred</w>
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<w>reeps</w>
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<w>scipy</w>
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<w>slsqp</w>
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<w>thermo</w>
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</words>
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</dictionary>
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90
.idea/workspace.xml
generated
90
.idea/workspace.xml
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@@ -1,12 +1,12 @@
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@@ -37,17 +37,17 @@
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<option name="PARENT_ENVS" value="true" />
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<option name="SDK_HOME" value="" />
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@@ -56,7 +56,7 @@
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@@ -64,13 +64,13 @@
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@@ -132,10 +132,10 @@
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@@ -215,7 +215,14 @@
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@@ -266,30 +273,30 @@
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