gyroid is a python package that generates symmetry adapted basis functions based on the space group of a unit cell.
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license: | BSD, see LICENSE for more details. |
Bases: object
A StarSet is a collection of stars with all waves have same magnitude. For example, for P6mm in a 32 x 32 grid HEXAGONAL unit cell, an example of a collection of star with same magnitude is:
- [[ 8 8 7 7 5 5 3 3 0 0 -3 -3 -5 -5 -7 -7 -8 -8],
- [-3 -5 0 -7 3 -8 5 -8 7 -7 8 -5 8 -3 7 0 5 3]]
Bases: object
Discrete form of a unit cell in reciprocal space.
A wave is canceled if and only if following conditions are met: 1) Leaves G invariant (i.e. G.R == G), and 2) Produces a non-zero phase, such that G.t % 1.0 != 0
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.