:py:mod:`ccs_fit.scripts.ccs_fetch`
===================================

.. py:module:: ccs_fit.scripts.ccs_fetch


Module Contents
---------------


Functions
~~~~~~~~~

.. autoapisummary::

   ccs_fit.scripts.ccs_fetch.pair_dist
   ccs_fit.scripts.ccs_fetch.ccs_fetch
   ccs_fit.scripts.ccs_fetch.main



.. py:function:: pair_dist(atoms, R_c, ch1, ch2, counter)

       This function returns pairwise distances between two types of atoms within a certain cuttoff

   Input
   -----
       R_c : float
           Cut off distance(6. Å)
       ch1 : str
           Atom species 1
       ch2 : str
           Atoms species 2

   :rtype: A list of distances


.. py:function:: ccs_fetch(mode=None, DFT_DB=None, R_c=6.0, Ns='all', DFTB_DB=None, charge_dict=None, include_forces=False, verbose=False)

   Function to read files and output structures.json

   Input
   -----
       mode : string
           To what target the spline should be fitted. Options are [CCS,CCS+Q,DFTB,PRUNED_CCS]
       DFT_DB : string
           optional: target database
       R_c : float
           optional: Distance cut-off. Defaults to 6.0.

   :returns: **structures.json** -- Collection of structures in .json format.
   :rtype: JSON file

   .. rubric:: Example

   To be added.


.. py:function:: main()