+title: pycse - Python computations in science and engineering
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If you want to cite this project, use this doi:10.5281/zenodo.19111.
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@misc{john_kitchin_2015_19111, author = {John R. Kitchin}, title = {pycse: First release}, month = jun, year = 2015, doi = {10.5281/zenodo.19111}, url = {http://dx.doi.org/10.5281/zenodo.19111} }
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This git repository hosts my notes on using python in scientific and engineering calculations. The aim is to collect examples that span the types of computation/calculations scientists and engineers typically do to demonstrate the utility of python as a computational platform in engineering education.
- Installation
You may want to install the python library with pycse:
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pip install pycse
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Feeling brave? You can install the cutting edge from GitHUB:
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pip install git+git://github.com/jkitchin/pycse
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- Docker
You can use a Docker image to run everything here. You have to have Docker installed and working on your system.
See [[./docker/]] for the setup used.
** Option 1
I provide a pycse command-line utility that is installed with the package. Simply run pycse in a shell in the directory you want to start Jupyter lab in. When done, type C-c
** Option 2
You can manually pull the image:
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docker pull jkitchin/pycse:latest
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Then, run the [[./docker/pycse.sh]] script. This script mounts the current working directory, and takes care of choosing a random port.
- Documentation
See https://kitchingroup.cheme.cmu.edu/pycse/docs/pycse.html for the Python documentation.