.. algorithm::

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Description
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Loads a netcdf file generated by nMoldyn containing MMTK format trajectories. The algorithm calculates angular auto-correlations of molecule in the simulation along a user-defined axis. The trajectory file must therefore contain molecule definitions.
The axis vector is drawn from the average position of atoms of type SpeciesOne to the average position of atoms of type SpeciesTwo.

Usage
-------

.. code-block:: python

   output_ws, output_ws_ft = AngularAutoCorrelationsSingleAxis(InputFile = 'trajectory_methyliodide.nc',
                                                                                                 Timestep = '10.0',
                                                                                                 SpeciesOne = 'C',
                                                                                                 SpeciesTwo = 'I')

Example
------------
Angular auto-correlations calculated for methyliodide.

.. image:: ../images/AngularCrossCorrelationsSingleAxis.png
    :align: center

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