Atom
====

Represents an atom with atomic number and Cartesian coordinates.

Constructors
------------

.. code-block:: python

   Atom(q, x, y, z)
   Atom(q, [x, y, z])
   Atom(q, np.array([x, y, z]))

Parameters
----------
* **q** *(int)* — atomic number (nuclear charge).
* **x, y, z** *(float)* — Cartesian coordinates in Bohr.

Example
-------

.. code-block:: python

   carbon = gxc.Atom(6, 0.0, 0.0, 0.0)
   hydrogen = gxc.Atom(1, [2.0, 0.0, 0.0])
   oxygen = gxc.Atom(8, np.array([0.0, 0.0, 2.5]))