Postopus (the POST-processing of OctoPUS data) is an environment, written in python, that can help with the analysis of data that was computed using the Octopus package.
Project description
Postopus
Postopus (the POST-processing of OctoPUS data) is an environment that can help with the analysis of data that was computed using the Octopus TDDFT package.
Note: ase is not listed as a dependency, but it will be needed, so please execute: pip install git+https://gitlab.com/ase/ase.git@master.
Context, for those who are interested: ase has already merged some of our feature requests that are needed for postopus, but they are not yet tag-released.
Version support
Python versions supported: 3.8, 3.9 and 3.10. Release 0.1.0 will support octopus@12.1.
Recommended installation
For analyzing data, static (matplotlib) and interactive (holoviews) plotting inside Jupyter Notebooks are a common choice. Thus,
pip install postopus[recommended] is recommended, which will install the needed packages for this purpose.
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