pdom 1.0.0

Simulation toolkit for the Photocatalytic Degradation of Organic Molecules

pdom

Simulation toolkit for the Photocatalytic Degradation of Organic Molecules

Setup

Most features of pdom can be directly accessed from its command-line tools. The easiest way to install them on your system is via pipx. So if you just need the CLI, use the following line to install pdom.

pipx install pdom

You can also install the pdom library directly through the Python Package Index (PyPI) for use in your own projects. The use of a virtual environment is recommended.

pip install pdom

If the stable version of pdom on PyPI is missing a particular function, you can install the latest version directly from the GitHub repository.

pip install -U git+https://github.com/theia-dev/pdom.git#egg=pdom

Citation

If you use pdom in your work please cite the paper describing the basic models

Eckert, H., Bobeth, M., Teixeira, S., Kühn, K., & Cuniberti, G. Modeling of photocatalytic degradation of organic components in water by nanoparticle suspension. Chemical Engineering Journal 261, (2015). doi: 10.1016/j.cej.2014.05.147

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The full source code can be accessed on GitHub with the corresponding documentation hosted at Read the docs.