Orientation sets created via solution of the hyperspherical covering problem
Program overview:
Orientation sets can be generated by running 'main.py'. The script prints orientations (to stdout) with the chosen Laue group and granularity. All orientations are in the fundamental zone of the chosen Laue group.
Arguments:
lauegroup: desired Laue group (options are [C1i, C2h, C3i, C4h, C6h, D2h, D3d, D4h, D6h, Th, Oh])
alpha: maximum misorientation of set (options are [1, 2, 3, 4, 5])
outputformat: specifies the output format (options are [quaternion, euler, matrix])
Optional arguments:
--weights: output the Voronoi cell of each orientation.
Examples:
Create orientation set with alpha<=2 degrees for D3 Laue group, in quaternion form
python main.py D3d 2 quaternion
Create orientation set with alpha<=4 degrees for O Laue group, in Euler angle form. Append Voronoi cell weights
python main.py Oh 4 euler --weights
Create orientation set with alpha<=1 degrees for C2 Laue group, in rotation matrix form.
python main.py C2h 1 matrix
If you use these data in a publication, please reference:
Peter Mahler Larsen and Søren Schmidt Improved orientation sampling for indexing diffraction patterns of polycrystalline materials Journal of Applied Crystallography. (2017). 50, 1571-1582
Article available at: https://doi.org/10.1107/S1600576717012882
Preprint available at: https://arxiv.org/abs/1707.09045