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35 lines
1002 B
35 lines
1002 B
# REEPS
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REEPS (Rare Earth Element Parameter Searcher) is a toolkit for estimating standard thermodynamic parameters for Gibbs minimization.
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Extend a methodology for estimating standard thermodynamic parameters for Gibbs minimization in multiphase, multicomponent separations systems
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## Installation
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To install REEPS, clone the repository with the command
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```
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$ git clone https://xgitlab.cels.anl.gov/summer-2020/parameter-estimation.git
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```
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Navigate into the parameter-estimation folder with
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```
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cd parameter-estimation
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```
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and run the command below in your terminal
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```
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$ pip install -e.
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```
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### Dependencies
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REEPS uses packages: cantera (https://cantera.org/), pandas, numpy, scipy, xml, seaborn, and matplotlib
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## Usage
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Check out examples in docs/examples
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```python
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from reeps import REEPS
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searcher = REEPS(**REEPS_parameters_dictionary)
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optimized_parameter_dictionary = searcher.fit()
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searcher.update_xml(optimized_parameter_dictionary)
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searcher.parity_plot()
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print(seacher.r_squared())
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```
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