├── .gitignore ├── LICENSE ├── MANIFEST.in ├── README.md ├── docs ├── Makefile ├── conf.py ├── index.rst ├── install.rst ├── license.rst ├── mainclasses.rst ├── make.bat ├── pyequion_logo.png ├── reference.rst └── tutorials.rst ├── pyequion2 ├── __init__.py ├── activity │ ├── __init__.py │ ├── debye.py │ ├── extended_debye.py │ ├── ideal.py │ ├── pitzer.py │ ├── pitzer_sanity_assertions.py │ └── py_coo_tensor_ops.py ├── builder.py ├── constants.py ├── converters.py ├── datamods │ ├── README │ ├── __init__.py │ ├── chemical_potentials.py │ ├── density_solids.py │ ├── phreeqc.dat │ ├── pitzer.txt │ ├── pitzer_data.py │ ├── reactions_gases.py │ ├── reactions_irreversible.py │ ├── reactions_solids.py │ ├── reactions_solutions.py │ ├── species.py │ └── temp.py ├── eqsolver │ ├── __init__.py │ ├── eqsolver.py │ ├── residual_functions.py │ └── solvers.py ├── equilibrium_backend.py ├── equilibrium_system.py ├── fugacity │ ├── __init__.py │ ├── peng_robinson.py │ └── solve_cubic.py ├── gaseous_system.py ├── gui │ ├── __init__.py │ ├── images │ │ └── pyequion_logo.png │ ├── initializer.py │ ├── logmaker.py │ ├── main.py │ ├── run.py │ ├── seqsolution.py │ ├── solution.py │ └── solver.py ├── interface │ ├── __init__.py │ ├── diffusion_coefficients.py │ ├── interface_functions.py │ ├── interface_solution.py │ └── interface_system.py ├── logmaker.py ├── sequencer.py ├── solution.py ├── utils.py └── water_properties.py ├── pyinstaller ├── FLAGS.txt ├── hook │ └── hook-lark.py └── pyequiongui.py ├── pyproject_.toml ├── requirements.txt ├── setup.py └── test ├── examples ├── example0.py ├── example1.py ├── example2.py ├── example3.py ├── example4.py ├── example5.py ├── example6.py ├── example7.py └── example8.py ├── suite ├── converters.py ├── eqsys.py ├── gaseous_system.py ├── intsys.py └── pitzer.py └── test_suite_1.py /.gitignore: -------------------------------------------------------------------------------- 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