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gyroid

gyroid is a python package that generates symmetry adapted basis functions based on the space group of a unit cell.

Quickstart

1. Install

$ easy_install gyroid

or

$ tar -xvf gyroid-xxx.tar.gz
$ cd gyroid-xxx
$ python setup.py install

Required packages: * numpy: it should be installed before installing gyroid. * scipy: I use it to save data in Matlab mat format. * matplotlib: 2D Graphic plotting. * mayavi: it depends on many packages, e.g. VTK (compiled with python wrapper and shared library on). If you do not need the render_structure_3d function, simply ignore it.

2. Usage

>>>import gyroid as gy

>>>uc = gy.UnitCell(3)
>>>group = gy.Group(3,gy.BRAVAIS,uc.shape,"Ia-3d")
>>>grid = gy.Grid(np.array([4,4,4]),group)
>>>basis = gy.Basis(group,grid)

>>>render_structure_3d(basis,32,32,32,1.0)

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