Example PyOrbb Analysis Scripts
===============================

To gain a better understanding of the capabilities of PyOrbb we have prepared example scripts that showcase the ease of use and effectiveness of the PyOrbb Python API.
These examples have all been used and applied in real research applications over the recent period.


.. grid:: 2
    :gutter: 2

    .. grid-item-card:: Detect π-Orbitals
      :link: pi_orbitals.html

      .. image:: pi_orbitals.png
         :height: 250px
         :align: center

      PyOrbb script to differentiate π- and σ-orbitals.


    .. grid-item-card:: Orbital Interactions Along a Reaction Path
      :link: tracking.html

      .. image:: orbint.gif
         :height: 250px
         :align: center

      PyOrbb script to generate movies of orbital interaction during a reaction.


    .. grid-item-card:: Electronic Excitation Analysis/Filtering
      :link: excitations.html

      .. image:: EDA_complex_orbs.png
         :height: 250px
         :align: center

      PyOrbb script to analyse and filter data from UV/VIS excitation data.


    .. grid-item-card:: Bonding or Antibonding?
      :link: bonding.html

      .. image:: bonding.png
         :height: 250px
         :align: center

      PyOrbb script to distinguish bonding and antibonding MOs.


    .. grid-item-card:: Orbital Movie
      :link: movie.html

      .. image:: orbitals.gif
         :height: 250px
         :align: center

      PyOrbb script to generate a movie showing orbitals during a reaction.


    .. grid-item-card:: MO Tracking
      :link: mo_tracking.html

      .. image:: mo_tracking.png
         :height: 250px
         :align: center

      PyOrbb script to generate a movie showing orbitals during a reaction.



.. toctree::
    :maxdepth: 1
    :hidden:

    pi_orbitals.rst
    tracking.rst
    excitations.rst
    bonding.rst
    movie.rst
    mo_tracking.rst