Dear QE users and developers, I would like to introduce a small python utility that could be of interest to some of you.
To simplify some of my tasks, I have created pbcpy, a small python package to deal with periodic systems and grids. Among other things, pbcpy can: - read Quantum Espresso .pp files and return a convenient python object. - this object can be easily manipulated in python scripts or interactive environments such as Jupyter Notebook - interpolate between grids with arbitrary number of points in any direction - get arbitrary 1D/2D/3D cuts of the grid along any direction and any origin (taking pbc into account). - write any of such quantities into a .xsf file - a lot more, which is not of immediate interest to QE users You can grab the source code and read the documentation on GitHub at https://github.com/alesgenova/pbcpy An older version can also be easily installed through pip. Hope it helps some of you. Best, Alessandro
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