gyroid is a python package that generates symmetry adapted basis functions based on the space group of a unit cell.
Bases: object
A representaion of a space group.
All symmetries in a space group must have the same basis, i.e. they must all be either the Bravais or the Cartesian bases.
The space group is constructed either by providing a Hermann-Mauguin Symbol (HM_symbol) or a sequential number as given in the International Tables for Crystallography, Vol. A (ITA_number)
There are 17 2D space groups. Currently, Only following 2D space groups are supported:
[17]
- ITA_number - a sequential number as given in the
- International Tables for Crystallography, Vol. A
b - Basis type h - Shape instance that describes the unit cell
A list of Symmetry instances that contains the minimun number of symmetries which can be further expanded to the full set of point group symmetries.
Bases: object
A representation of a symmetry element in a group.
The basis type of a symmetry element should be either ‘Cartesian’ or ‘Bravais’. A symmetry element contains a point group matrix and a translational vector.
Define a standard unit cell and its (real space) lattice basis vectors according to the cystal system.
Bases: object
Shape matrix constructed from unit vectors in Cartesian Coordinate.
The Morse convention is used. That is each row in the shape matrix represents a unit vector, e.g. h = (a1,a2,a3) where a_i = (x_i,y_i,z_i) is the unit vector of the Bravis lattice in Cartesian Coordinate.
basis - An instance of Basis class Na - Number of grids to discretes the side a of the unit cell. c - coefficients for each basis function.
basis - An instance of Basis class Na,Nb - Number of grids to discrete the side a of the unit cell. c - coefficients for each basis function.
basis - An instance of Basis class Na,Nb,Nc - Number of grids to discrete the side a of the unit cell. c - coefficients for each basis function. NOTE: the best way to view 3D volume data is: first save the data to mat, and let Matlab (C) render the volume data.