A python tool set for equations of state
Project description
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 (shdshim@gmail.com) 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
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