allomorph.init_struct.gen_bnp_al
================================

.. py:module:: allomorph.init_struct.gen_bnp_al

.. autoapi-nested-parse::

   Note:
   - Abbreviations:
       - RAL = randomly distributed alloy
       - RCS = randomly distributed core-shell-like alloy
       - (R)L10 = L1_0 intermetallic alloy (with/without random component)
       - (R)L12 = L1_2 intermetallic alloy (with/without random component)
   - To do:
       - FCC is currently being hard-coded for lattice constant retrieval, might need to be flexible
       - Perhaps could add a parameter to control core thickness



Functions
---------

.. autoapisummary::

   allomorph.init_struct.gen_bnp_al.rand_conv
   allomorph.init_struct.gen_bnp_al.gen_bnp
   allomorph.init_struct.gen_bnp_al.write_bnp
   allomorph.init_struct.gen_bnp_al.main


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

.. py:function:: rand_conv(obj, element1, element2, ele2Ratio, rseed, prob)

   Randomly convert elements of atoms until specified ratio is reached


.. py:function:: gen_bnp(obj, element1, element2, shape, ratio2, distrib, rseed, ele_dict=None)

   Generates a BNP alloy structure based on specified distribution type.


.. py:function:: write_bnp(element1, element2, diameter, shape, ratio2, distrib, replace=False, vis=False, ele_dict=None)

   Generates and writes a specific BNP alloy structure.


.. py:function:: main(replace=False, vis=False, ele_dict=None)

   Main entry point for BNP generation.