jarvis.ai.descriptors.coulomb
=============================

.. py:module:: jarvis.ai.descriptors.coulomb

.. autoapi-nested-parse::

   Coulomb matrix for Atoms.

   Refer to: 10.1103/PhysRevLett.108.058301



Functions
---------

.. autoapisummary::

   jarvis.ai.descriptors.coulomb.coulomb_matrix


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

.. py:function:: coulomb_matrix(atoms='', max_dim=100)

   Convert Atoms class to max_dim x max_dim matrix.

   Args:

       atoms: atoms object

       max_dim: maximum number of atoms=sqrt(max_dim)

   Returns:
         z: numpy array of 1 x max_dim dimension