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bug fixing
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SalvadorBrandolin committed Aug 24, 2024
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12 changes: 6 additions & 6 deletions README.md
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![logo](logo.svg)
![logo](logo.png)

[![Binder](https://mybinder.org/badge_logo.svg)](https://mybinder.org/v2/gh/ipqa-research/ugropy/main)
[![License](https://img.shields.io/badge/License-MIT-blue.svg)](https://tldrlegal.com/license/mit-license)
Expand All @@ -21,26 +21,26 @@ molecules that `ugropy` fails solving the subgroups of a model is very helpful.
`ugropy` is tested for `Python` 3.10, 3.11 and 3.12 on Linux, Windows and Mac
OS.

## Try ugropy now
# Try ugropy now
You can try ugropy from its
[Binder](https://mybinder.org/v2/gh/ipqa-research/ugropy/main). Open the
binder.ipynb file to explore the basic features.

## Models supported v2.0.5
# Models supported v2.0.5
- Classic liquid-vapor UNIFAC
- Predictive Soave-Redlich-Kwong (PSRK)
- Joback

## Writers
# Writers
`ugropy` allows you to convert the obtained functional groups or estimated
properties to the input format required by the following thermodynamic
libraries:

- [Clapeyron.jl](github.com/ClapeyronThermo/Clapeyron.jl)
- [Clapeyron.jl](https://github.com/ClapeyronThermo/Clapeyron.jl)
- [Thermo](https://github.com/CalebBell/thermo)


## Example of use
# Example of use
You can check the full tutorial
[here](https://ipqa-research.github.io/ugropy/tutorial/tutorial.html).

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1 change: 1 addition & 0 deletions docs/requirements.txt
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Expand Up @@ -3,6 +3,7 @@ setuptools
Sphinx
sphinx_rtd_theme

myst-parser
nbsphinx
sphinx_copybutton
sphinxcontrib-bibtex
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173 changes: 0 additions & 173 deletions docs/source/README.rst

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15 changes: 7 additions & 8 deletions docs/source/conf.py
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# Configuration file for the Sphinx documentation builder.
#
# For the full list of built-in configuration values, see the documentation:
# https://www.sphinx-doc.org/en/master/usage/configuration.html

# -- Project information -----------------------------------------------------
# https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information
import os
import pathlib
import sys
import toml


CURRENT_PATH = pathlib.Path(os.path.abspath(os.path.dirname(__file__)))
UGROPY_PATH = CURRENT_PATH.parent.parent

Expand All @@ -31,6 +25,7 @@
# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration

extensions = [
"myst_parser",
"sphinx.ext.autodoc",
"sphinx.ext.coverage",
"sphinx.ext.mathjax",
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bibtex_bibfiles = ["refs.bib"]

add_module_names = False
# =============================================================================
# NUMPY DOC
# =============================================================================
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# You can specify multiple suffix as a list of string:
#
# source_suffix = ['.rst', '.md']
source_suffix = ".rst"
source_suffix = {
".rst": "restructuredtext",
".md": "markdown",
}

# The master toctree document.
master_doc = "index"
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11 changes: 5 additions & 6 deletions docs/source/index.rst
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Expand Up @@ -3,7 +3,8 @@
You can adapt this file completely to your liking, but it should at least
contain the root `toctree` directive.
.. include:: README.rst
.. include:: ../../README.md
:parser: myst_parser.sphinx_

.. toctree::
:maxdepth: 2
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tutorial/tutorial
modules

References
==========
.. toctree::
:maxdepth: 1

.. bibliography::
:style: unsrt
:cited:
references.rst


Indices and tables
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