postopus 0.2.0
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Description:
postopus 0.2.0
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 0.2.0 will support [email protected], 12.1, 12.2.
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.
License:
For personal and professional use. You cannot resell or redistribute these repositories in their original state.
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