Pybec

Latest version: v0.1.2

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0.1.2

Can now use parsers.full_polarization('Dir') to parse a directory worth of sequential polarization runs.

0.1.1

Release Notes
Jupyter notebook has been updated with some new cells to plot induced electric field around nanoparticle.
Running the notebook now requires installing plotly. See the README.md in the Notebook directory for full installation instructions.

Known Bugs
Known Deficiencies
Functions in plotters.py for displaying slices of BEC volumetric data in Jupyter notebooks
have not been tested
Documentation is in-progress

0.1.0

Release Notes
All functionality used to extract and display Born Effective Charges
from QuantumEspresso Calculations is available as a python package
easily imported and used in a Jupyter notebook.

Known Bugs

Known Deficiencies
* Functions in plotters.py for displaying slices of BEC volumetric data in Jupyter notebooks
have not been tested
* Documentation is in-progress

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Releases

Has known vulnerabilities

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