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Pytzer\n\n![Tests](https://github.com/mvdh7/pytzer/workflows/Tests/badge.svg)\n[![Coverage](https://raw.githubusercontent.com/mvdh7/pytzer/main/.misc/coverage.svg)](https://github.com/mvdh7/pytzer/blob/main/.misc/coverage.txt)\n[![pypi badge](https://img.shields.io/pypi/v/pytzer.svg?style=popout)](https://pypi.org/project/pytzer/)\n[![Conda Version](https://img.shields.io/conda/vn/conda-forge/pytzer.svg?style-popout)](https://anaconda.org/conda-forge/pytzer)\n[![DOI](https://img.shields.io/badge/DOI-10.5281%2Fzenodo.2637914-informational)](https://doi.org/10.5281/zenodo.2637914)\n[![License: GPL v3](https://img.shields.io/badge/License-GPLv3-blue.svg)](https://www.gnu.org/licenses/gpl-3.0)\n[![Ruff](https://img.shields.io/endpoint?url=https://raw.githubusercontent.com/astral-sh/ruff/main/assets/badge/v2.json)](https://github.com/astral-sh/ruff)\n\nPytzer is a Python implementation of the Pitzer model for chemical activities in aqueous solutions [[P91](https://pytzer.hseao3.group/refs/#p)] plus solvers to determine the equilibrium state of the system.\n\n**Pytzer is in beta!  Use at your own peril.**\n\n- [Pytzer](#pytzer)\n  - [Installation](#installation)\n    - [For general use](#for-general-use)\n  - [Documentation](#documentation)\n  - [Citation](#citation)\n\n## Installation\n\n### For general use\n\nInstall with pip (any OS):\n\n    pip install pytzer\n\nOn Mac or Linux, you can alternatively install from conda-forge:\n\n    conda install conda-forge::pytzer\n\nHowever, the above will not work on Windows, because jax is not on conda-forge for Windows - so use pip instead.\n\nOnce installed, you will need to set the environment variable `JAX_ENABLE_X64=True`.  For example, using conda:\n\n    conda env config vars set JAX_ENABLE_X64=True\n\n## Documentation\n\nA work in progress at [pytzer.hseao3.group](https://pytzer.hseao3.group).\n\n## Citation\n\nPytzer is maintained by [Dr Matthew P. Humphreys](https://hseao3.group) at the [NIOZ Royal Netherlands Institute for Sea Research](https://www.nioz.nl/en) (Texel, the Netherlands).\n\nFor now, the appropriate citation is:\n\n\u003e Humphreys, Matthew P. and Schiller, Abigail J. (2024). Pytzer: the Pitzer model for chemical activities and equilibria in aqueous solutions in Python (beta).  *Zenodo.*  [doi:10.5281/zenodo.2637914](https://doi.org/10.5281/zenodo.2637914).\n\nPlease report which version of Pytzer you are using.  You can find this in Python with:\n\n```python\nimport pytzer as pz\npz.hello()\n```\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmvdh7%2Fpytzer","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fmvdh7%2Fpytzer","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fmvdh7%2Fpytzer/lists"}