:orphan:

:mod:`atsim.potentials._eam_potential`
======================================

.. py:module:: atsim.potentials._eam_potential


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

Classes
~~~~~~~

.. autoapisummary::

   atsim.potentials._eam_potential.EAMPotential



.. py:class:: EAMPotential(species, atomicNumber, mass, embeddingFunction, electronDensityFunction, latticeConstant=0.0, latticeType='fcc')

   Bases: :class:`object`

   Class used to describe a particular species within EAM potential models.

   This class is a container for the functions and attributes necesary for describing the many-body component of an
   Embedded Atom potential Model.


   .. method:: embeddingValue(self, density)

      Method that returns energy for given electron density.

      This method simply passes ``density`` to the callable stored in the ``embeddingFunction`` and returns its value.

      :param density: Electron density.
      :type density: float
      :return: Energy for given density (as given by ``self.embeddingFunction``).
      :rtype: float


   .. method:: electronDensity(self, separation)

      Gives the 'electron' density for an atom separated from current species by ``separation``.

      This is a pass-through method to callable stored in current instance's ``electronDensityFunction`` attribute.

      .. :warning:: In cases where the ``electronDensityFunction`` attribute has been set to a dictionary, (for instance, when density functions
        specific to particular pairs of species are required), this method should not be used

      :param separation: Separation (in angstroms) between atom represented by this object and another atom.
      :type separation: float.

      :return: Contribution to electron density due to given pair separation.
      :rtype: float.