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Enhanced NBO Analysis

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@sinagilassi sinagilassi released this 17 Mar 20:36
· 19 commits to main since this release

We're excited to announce the latest release of our Python package, featuring a new NBO parser and visualization capabilities.

What's New:

NBO Analysis and Visualization

  • Introducing the nbo_parser function, which enables users to extract data from NBO files.
  • Visualize extracted NBO data in a browser, such as Chrome, for easier analysis and inspection.

Example Usage:

# file
nbo_file = "nbo.log"
# display in browser
gp.nbo_parser(nbo_file)