Quadrupole Analysis

Python functions for taking molecular quadrupole tensors and converting to forms for comparison to literature. You can find the documentation for this package hosted on ReadTheDocs.

This package can be installed with any package manager that has access to the Python Package Index, such as pip. Development of this package is done using uv, and is recommended for most users. You can either install Quadrupole in a virtual environment:

> uv venv
...
> source .venv/bin/activate
> uv pip install quadrupole

or add it to a project:

> uv init
...
> uv add quadrupole