mpds-io/pytheos

Python tool set for equations of state.

PYTHEOS

Overview

Pytheos provides a tool set for a wide range of tasks in high pressure science:

• calculate pressure from a number of built-in pressure scales
• convert pressure scales
• propagate uncertainties properly using the uncertainties package
• fit pressure-volume and pressure-volume-temperature data sets using the scipy and lmfit packages
• fit with a wide range of different equations and their combinations

Install

Pytheos is a pure python package.

It can be installed from source or,

$ pip install pytheos

For anaconda users,

$ conda install -c shdshim pytheos

Instruction for mineral physicists

I provide environment files for mineral physicists. The environment file includes useful packages for mineral physicists. So those who are interested only pytheos may not want to use the environment files.

If you decide to use the environment, you may install the environment by:

$ conda env create -f py35ds-osx.yml

For window users, use: py35ds-win64.yml.

The command above will create a new environment: py35ds.

If you need more detailed one, please find my instruction in my gist site.

Contact

Please contact Dan Shim ([email protected]) for bug reports, comments, and suggestions. I am happy to include new pressure scales or other pressure scales in pytheos as well.

Examples and Tutorials

The pytheos package includes examples in Jupyter Notebook (under the examples folder), which demonstrate a range of operations, calculations, and fittings you can do with pytheos. Pytheos is designed to support data analysis using Jupyter Notebook as well as python scripts.

Documentation is available at: https://shdshim.github.io/pytheos-docs/.

How to cite

S.-H. Shim (2017) Pytheos - a python tool set for equations of state. Zenodo. http://doi.org/10.5281/zenodo.802392