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The Jupyter Notebook (formerly IPython Notebook) is a web application that allows you to create and share documents that contain live code, equations, visualizations and explanatory text.

This first blog article introduces use of the Jupyter Notebooks for processing and visualization of NBO outputs. Presented notebooks reinforce the use of interactive computing environment for exploration and processing of computational results. With the Jupyter Notebook, one creates documents, called notebooks that contain formatted text, figures, equations, programming code, and code output that can be shared with others to enhance teaching effectiveness. To demonstrate utility and benefits of using Jupyter Notebook, several Jupyter notebooks related to NBO analysis are available from this site. Future examples of such Notebooks will feature processing, analysis, and visualization of NBO properties. The collection of available NBO Jupyter Notebooks is maintained at the GitHub repository.


This static blog site dedicated to coding and web development also features Jupyter notebooks and recipes for analysis of NBO properties.

List of available NBO Jupyter notebooks

Description Filename Link
NBO dipoles vector decomposition Dipoles_quad_all_Jupyter.ipynb GitHub
Read NBO Dipoles ReadNboDip.ipynb GitHub


Name Released Download Supplementary files GitHub Blog Video Manual