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README.md

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![logo](logo.svg)
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![logo](logo.png)
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[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/ipqa-research/ugropy/main)
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[![License](https://img.shields.io/badge/License-MIT-blue.svg)](https://tldrlegal.com/license/mit-license)
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`ugropy` is tested for `Python` 3.10, 3.11 and 3.12 on Linux, Windows and Mac
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OS.
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## Try ugropy now
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# Try ugropy now
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You can try ugropy from its
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[Binder](https://mybinder.org/v2/gh/ipqa-research/ugropy/main). Open the
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binder.ipynb file to explore the basic features.
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## Models supported v2.0.5
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# Models supported v2.0.5
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- Classic liquid-vapor UNIFAC
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- Predictive Soave-Redlich-Kwong (PSRK)
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- Joback
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## Writers
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# Writers
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`ugropy` allows you to convert the obtained functional groups or estimated
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properties to the input format required by the following thermodynamic
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libraries:
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- [Clapeyron.jl](github.com/ClapeyronThermo/Clapeyron.jl)
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- [Clapeyron.jl](https://github.com/ClapeyronThermo/Clapeyron.jl)
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- [Thermo](https://github.com/CalebBell/thermo)
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## Example of use
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# Example of use
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You can check the full tutorial
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[here](https://ipqa-research.github.io/ugropy/tutorial/tutorial.html).
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docs/requirements.txt

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Sphinx
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sphinx_rtd_theme
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myst-parser
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nbsphinx
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sphinx_copybutton
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sphinxcontrib-bibtex

docs/source/README.rst

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docs/source/conf.py

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# Configuration file for the Sphinx documentation builder.
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#
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# For the full list of built-in configuration values, see the documentation:
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# https://www.sphinx-doc.org/en/master/usage/configuration.html
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# -- Project information -----------------------------------------------------
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# https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information
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import os
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import pathlib
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import sys
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import toml
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CURRENT_PATH = pathlib.Path(os.path.abspath(os.path.dirname(__file__)))
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UGROPY_PATH = CURRENT_PATH.parent.parent
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# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration
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extensions = [
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"myst_parser",
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"sphinx.ext.autodoc",
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"sphinx.ext.coverage",
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"sphinx.ext.mathjax",
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bibtex_bibfiles = ["refs.bib"]
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add_module_names = False
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# =============================================================================
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# NUMPY DOC
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# =============================================================================
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# You can specify multiple suffix as a list of string:
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#
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# source_suffix = ['.rst', '.md']
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source_suffix = ".rst"
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source_suffix = {
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".rst": "restructuredtext",
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".md": "markdown",
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}
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# The master toctree document.
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master_doc = "index"

docs/source/index.rst

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You can adapt this file completely to your liking, but it should at least
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contain the root `toctree` directive.
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.. include:: README.rst
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.. include:: ../../README.md
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:parser: myst_parser.sphinx_
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.. toctree::
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:maxdepth: 2
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tutorial/tutorial
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modules
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References
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==========
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.. toctree::
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:maxdepth: 1
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.. bibliography::
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:style: unsrt
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:cited:
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references.rst
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Indices and tables

docs/source/logo.png

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