:mod:`atsim.potentials.eam_tabulation`
======================================

.. py:module:: atsim.potentials.eam_tabulation


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

Classes
~~~~~~~

.. autoapisummary::

   atsim.potentials.eam_tabulation.SetFL_EAMTabulation
   atsim.potentials.eam_tabulation.SetFL_FS_EAMTabulation
   atsim.potentials.eam_tabulation.TABEAM_EAMTabulation
   atsim.potentials.eam_tabulation.TABEAM_FinnisSinclair_EAMTabulation
   atsim.potentials.eam_tabulation.Excel_EAMTabulation
   atsim.potentials.eam_tabulation.Excel_FinnisSinclair_EAMTabulation
   atsim.potentials.eam_tabulation.ADP_EAMTabulation



.. py:class:: SetFL_EAMTabulation(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)

   Bases: :class:`atsim.potentials.eam_tabulation._EAMTabulationAbstractbase`

   Class for tabulating setfl formatted embedded atom potentials suitable
   for use with LAMMPS' pair_style eam/alloy

   .. method:: write(self, fp)

      Write the tabulation to the file object `fp`.

      :param fp: File object into which data should be written.



.. py:class:: SetFL_FS_EAMTabulation(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)

   Bases: :class:`atsim.potentials.eam_tabulation._EAMTabulationAbstractbase`

   Class for tabulating setfl Finnis-Sinclair formatted embedded atom potentials suitable
   for use with LAMMPS' pair_style eam/fs

   .. method:: write(self, fp)

      Write the tabulation to the file object `fp`.

      :param fp: File object into which data should be written.



.. py:class:: TABEAM_EAMTabulation(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)

   Bases: :class:`atsim.potentials.eam_tabulation._EAMTabulationAbstractbase`

   Class for tabulating TABEAM formatted embedded atom potentials for the DL_POLY code.

   .. method:: write(self, fp)

      Write the tabulation to the file object `fp`.

      :param fp: File object into which data should be written.



.. py:class:: TABEAM_FinnisSinclair_EAMTabulation(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)

   Bases: :class:`atsim.potentials.eam_tabulation._EAMTabulationAbstractbase`

   Class for tabulating EEAM TABEAM formatted Finnis-Sinclair style embedded atom potentials for the DL_POLY code.

   .. method:: write(self, fp)

      Write the tabulation to the file object `fp`.

      :param fp: File object into which data should be written.



.. py:class:: Excel_EAMTabulation(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)

   Bases: :class:`atsim.potentials.eam_tabulation._EAMTabulationAbstractbase`

   Class for dumping EAM model into a spreadsheet

   .. attribute:: workbook
      

      

   .. method:: write(self, fp)

      Write the tabulation to the file object `fp`.

      :param fp: File object into which data should be written.


   .. classmethod:: open_fp(cls, filename)

      Creates a file object with a given path suitable for writing potential data to.

      :param filename: Filename of output file object.

      :return: File object suitable for passing to write() method



.. py:class:: Excel_FinnisSinclair_EAMTabulation(potentials, eam_potentials, cutoff, nr, cutoff_rho, nrho)

   Bases: :class:`atsim.potentials.eam_tabulation.Excel_EAMTabulation`

   Class for dumping EAM model into a spreadsheet


.. py:class:: ADP_EAMTabulation(potentials, eam_potentials, dipole_potentials, quadrupole_potentials, cutoff, nr, cutoff_rho, nrho)

   Bases: :class:`atsim.potentials.eam_tabulation.SetFL_EAMTabulation`

   Class for tabulating setfl formatted embedded atom potentials with the ADP, angular dependent extension,
   suitable for use with LAMMPS' pair_style adp

   .. method:: write(self, fp)

      Write the tabulation to the file object `fp`.

      :param fp: File object into which data should be written.