The script g_fit.py fits a Gaussian to the wavefunction 
charge density provided in cube/xsf format.

The output of the script is the width of the 
model Gaussian which can be used to determine the 
Sigma parameter input to the model calculations using
coffee.py. The script also plots the planar averaged data 
and the Gaussian fit to it. 

To run this example run the following:
$python ../../GaussianFit/g_fit.py in


The script reads input from a file. The input file 
has just three parameters:

file_name = wfn.cube # Name of the cube/xsf file.
file_type = cube # Type of the file: cube/xsf.
plt_dir = a3 # Direction to plot and visualize the fit.
