:mod:`atsim.potentials.potentialfunctions`
==========================================

.. py:module:: atsim.potentials.potentialfunctions

.. autoapi-nested-parse::

   Functions for different potential forms.

   Most of the potentials in this module are implemented as callable _Potential_Function_Bases. The potential energy
   is evaluated by calling one of these objects. By convention the first argument of each is the
   atomic separation `r`, with other potential parameters following after. For instance, to
   evaluate a Buckingham potential at `r` = 2.0 the following could be called for `A`, `rho` and `C` values 
   1000.0, 0.2 and 32.0 respectively:

   .. code-block:: python

     atsim.potentialfunctions.buck(2.0, 1000.0, 0.2, 32.0)


   The callable objects also have other useful methods. Perhaps most importantly is the `.deriv()` method
   this returns the first derivative of the given potential (force). Again using the Buckingham potential as
   an example its derivative can be evaluated for `r` = 2.0 as follows:

   .. code-block:: python

     atsim.potentialfunctions.buck.deriv(2.0, 1000.0, 0.2, 32.0)


   See :ref:`list-of-potential-forms` for descriptions of these potential forms.



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

.. data:: buck
   

   

.. data:: bornmayer
   

   

.. data:: coul
   

   

.. data:: constant
   

   

.. data:: exponential
   

   

.. data:: hbnd
   

   

.. data:: lj
   

   

.. data:: morse
   

   

.. data:: polynomial
   

   

.. data:: sqrt
   

   

.. data:: tang_toennies
   

   

.. data:: zbl
   

   

.. data:: zero
   

   

.. data:: exp_spline