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GBpy is an opensource python package for calculating the geometric properties of interfaces in crystals.

Project Description
GBpy is a python package for finding the geometrical properties of
a Bicrystal. It includes all the necessary tools for constructing a simulation box
for grain boundary simulation.

.. image:: GBpy/docs/images/pic.png

* ``GBpy.bp_basis``, collection of functions for calculating the basis vectors of a single or bicrystal (general lattices).
* ``GBpy.find_csl_dsc``, collection of functions for finding the CSL and DSC lattices of a bicrystal (general lattices).
* ``GBpy.generate_symm_ops``, a function for constructing various group symmetry operations.
* ``GBpy.quaternion``, collection of functions for quaternion operations.
* ``GBpy.misorient_fz``, function for finding the unique disorientations in fundamental zone of various crystal point groups.
* ``GBpy.integer_manipulations``, collection of many useful ineteger manipulation functions.

and many other useful tools. Please refer to the documentation and example for detailed description and utility of functions.


- ``lattice``: Includes all the crystallographic data required for an element used by the code.
- ``quaternion``: Quaternion construction and operations.

How to Use This Package

1. Clone the repository:

.. code-block:: console

$ git clone

2. Run the setup script.

.. code-block:: console

$ python install

3. Import the package:

.. code-block:: pycon

>>> import GBpy

4. Call the function by using:

.. code-block:: pycon

>>> GBpy.<name_of_the_function>

for example to find the 2D basis vectors of a plane with Miller indices of (h,k,l):

.. code-block:: pycon

>>> GBpy.bp_basis.bp_basis([h,k,l])

5. You can also use the tools provided in this package individually by importing the functions separately. For example use :``from GBpy import <name_of_the_function> as <a_name>``.

Consult the documentation for further details.


1. install ``numpy`` from `here. <>`__

2. install ``scipy`` from `here. <>`__

3. install ``setuptools`` from `here. <>`__

* `Srikanth Patala <>`__, `web address: <>`__.
* `Arash Dehghan Banadaki <>`__

Copyright (c) 2014, Arash Dehghan Banadaki and Srikanth Patala.
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File Name & Checksum SHA256 Checksum Help Version File Type Upload Date
GBpy-0.1.0.tar.gz (2.5 kB) Copy SHA256 Checksum SHA256 Source Nov 12, 2014

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