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LLEPE
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Toolkit for estimating standard thermodynamic parameters for Gibbs minimization
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titusquah 07d6a0ac3c
added docs 		5 years ago
.idea 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. 5 years ago
data 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. 5 years ago
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tests 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. 5 years ago
README.md 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. 5 years ago
reeps.py 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. 5 years ago

README.md

REEPS

REEPS is a toolkit for estimating standard thermodynamic parameters for Gibbs minimization. Extend a methodology for estimating standard thermodynamic parameters for Gibbs minimization in multiphase, multicomponent separations systems

Installation

To install REEPS, clone the repository with the command

$ git clone https://xgitlab.cels.anl.gov/summer-2020/parameter-estimation.git

Navigate into the parameter-estimation folder with

cd parameter-estimation

and run the command below in your terminal

$ pip install -e.

Dependencies

REEPS uses packages: cantera (https://cantera.org/), pandas, numpy, scipy, xml, seaborn, and matplotlib

Usage

Do random stuff and pray.