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Added license and updated docs

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titusquah
2021-03-24 16:34:41 -06:00
parent 70706c05c8
commit ac4f480fd6
60 changed files with 4034 additions and 192 deletions
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docs/_Examples/.ipynb_checkpoints/1_getting_started-checkpoint.ipynb
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docs/_Examples/1_getting_started.ipynb
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@@ -1,5 +1,16 @@
{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"LLEPE: Liquid-Liquid Equilibrium Parameter Estimator\n",
"\n",
"Copyright © 2020, UChicago Argonne, LLC. All rights reserved.\n",
"\n",
"Released under the modified BSD license. See LICENSE for more details."
]
},
{
"cell_type": "markdown",
"metadata": {},
@@ -580,7 +591,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.7"
"version": "3.7.4"
}
},
"nbformat": 4,

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docs/_Examples/2_basic_fit_method.ipynb
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@@ -1,5 +1,16 @@
{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"LLEPE: Liquid-Liquid Equilibrium Parameter Estimator\n",
"\n",
"Copyright © 2020, UChicago Argonne, LLC. All rights reserved.\n",
"\n",
"Released under the modified BSD license. See LICENSE for more details."
]
},
{
"cell_type": "markdown",
"metadata": {},
@@ -469,7 +480,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.7"
"version": "3.7.4"
}
},
"nbformat": 4,

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docs/_Examples/3_filtered_fit_method.ipynb
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@@ -1,5 +1,16 @@
{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"LLEPE: Liquid-Liquid Equilibrium Parameter Estimator\n",
"\n",
"Copyright © 2020, UChicago Argonne, LLC. All rights reserved.\n",
"\n",
"Released under the modified BSD license. See LICENSE for more details."
]
},
{
"cell_type": "markdown",
"metadata": {},
@@ -586,7 +597,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.7"
"version": "3.7.4"
}
},
"nbformat": 4,

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docs/_Examples/4_Pitzer_fit_method.ipynb
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@@ -1,5 +1,16 @@
{
"cells": [
{
"cell_type": "markdown",
"metadata": {},
"source": [
"LLEPE: Liquid-Liquid Equilibrium Parameter Estimator\n",
"\n",
"Copyright © 2020, UChicago Argonne, LLC. All rights reserved.\n",
"\n",
"Released under the modified BSD license. See LICENSE for more details."
]
},
{
"cell_type": "markdown",
"metadata": {},
@@ -433,7 +444,7 @@
"name": "python",
"nbconvert_exporter": "python",
"pygments_lexer": "ipython3",
"version": "3.7.7"
"version": "3.7.4"
}
},
"nbformat": 4,

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docs/_Examples/iterative_fitter.py
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# LLEPE: Liquid-Liquid Equilibrium Parameter Estimator
# Copyright (C) 2020, UChicago Argonne, LLC. All rights reserved.
# Released under the modified BSD license. See LICENSE for more details.
import llepe
import pandas as pd
import numpy as np

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docs/_Examples/iterative_fitter_eval_grapher.py
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# LLEPE: Liquid-Liquid Equilibrium Parameter Estimator
# Copyright (C) 2020, UChicago Argonne, LLC. All rights reserved.
# Released under the modified BSD license. See LICENSE for more details.
import llepe
import pandas as pd
import numpy as np

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docs/_Examples/iterative_fitter_monitor.py
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# LLEPE: Liquid-Liquid Equilibrium Parameter Estimator
# Copyright (C) 2020, UChicago Argonne, LLC. All rights reserved.
# Released under the modified BSD license. See LICENSE for more details.
import matplotlib.pyplot as plt
import pandas as pd

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docs/_Examples/iterative_fitter_w_mse.py
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# LLEPE: Liquid-Liquid Equilibrium Parameter Estimator
# Copyright (C) 2020, UChicago Argonne, LLC. All rights reserved.
# Released under the modified BSD license. See LICENSE for more details.
import llepe
import pandas as pd
import numpy as np

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docs/_Examples/test_eval.py
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# LLEPE: Liquid-Liquid Equilibrium Parameter Estimator
# Copyright (C) 2020, UChicago Argonne, LLC. All rights reserved.
# Released under the modified BSD license. See LICENSE for more details.
# This file tests adding 0.1 M NaCl to the feed.
import llepe
import pandas as pd