├── .gitignore ├── .pre-commit-config.yaml ├── .travis.yml ├── LICENSE.md ├── README.md ├── docs ├── Makefile ├── _build │ ├── doctrees │ │ ├── environment.pickle │ │ └── index.doctree │ └── html │ │ ├── .buildinfo │ │ ├── _images │ │ └── validation.png │ │ ├── _sources │ │ └── index.txt │ │ ├── _static │ │ ├── ajax-loader.gif │ │ ├── alabaster.css │ │ ├── basic.css │ │ ├── comment-bright.png │ │ ├── comment-close.png │ │ ├── comment.png │ │ ├── css │ │ │ ├── badge_only.css │ │ │ └── theme.css │ │ ├── default.css │ │ ├── doctools.js │ │ ├── down-pressed.png │ │ ├── down.png │ │ ├── file.png │ │ ├── fonts │ │ │ ├── Inconsolata-Bold.ttf │ │ │ ├── Inconsolata.ttf │ │ │ ├── Lato-Bold.ttf │ │ │ ├── Lato-Regular.ttf │ │ │ ├── RobotoSlab-Bold.ttf │ │ │ ├── RobotoSlab-Regular.ttf │ │ │ ├── fontawesome-webfont.eot │ │ │ ├── fontawesome-webfont.svg │ │ │ ├── fontawesome-webfont.ttf │ │ │ └── fontawesome-webfont.woff │ │ ├── jquery-1.11.1.js │ │ ├── jquery.js │ │ ├── js │ │ │ ├── modernizr.min.js │ │ │ └── theme.js │ │ ├── minus.png │ │ ├── plus.png │ │ ├── pygments.css │ │ ├── searchtools.js │ │ ├── sidebar.js │ │ ├── underscore-1.3.1.js │ │ ├── underscore.js │ │ ├── up-pressed.png │ │ ├── up.png │ │ └── websupport.js │ │ ├── genindex.html │ │ ├── index.html │ │ ├── objects.inv │ │ ├── py-modindex.html │ │ ├── search.html │ │ └── searchindex.js ├── conf.py ├── favicon.ico ├── index.rst └── pyIAST_logo.png ├── manuscript.pdf ├── pyiast ├── __init__.py ├── iast.py └── isotherms.py ├── requirements.txt ├── setup.py ├── ternary_example ├── CO2.csv ├── H2O.csv ├── N2.csv ├── mixture.csv └── ternary_adsorption_example.ipynb └── test ├── .gitignore ├── IAST_validation.png ├── IRMOF-1.cssr ├── IRMOF-1_ethane_isotherm_298K.csv ├── IRMOF-1_methane_ethane_mixture_isotherm_65bar_298K.csv ├── IRMOF-1_methane_isotherm_298K.csv ├── Isotherm tests.ipynb ├── Methane and ethane test.ipynb ├── Test IAST for Langmuir case.ipynb ├── pure_component_isotherms.png └── python_scripts ├── Isotherm 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