All notable changes to this project will be documented in this file.
2022-06-10 - version 0.5.0#
Extra parameters in diffraction pattern’s plot method for drawing miller index labels next to the diffraction spots.
Option to use None for
scattering_paramswhich ignores atomic scattering.
Python 3.10 support.
ReciprocalLatticeVectorfor handling generation, handling and plotting of vectors. This class replaces
ReciprocalLatticePoint, which is deprecated.
Minimal version of dependencies orix >= 0.9, numpy >= 1.17 and tqdm >= 4.9.
The Laue group representing the rotation list sampling of “hexagonal” from 6/m to 6/mmm.
Loosened the angle tolerance in
ReciprocalLatticePointis deprecated and will be removed in v0.6. Use
2021-04-16 - version 0.4.2#
Simulations now have a .get_as_mask() method (#154, #158)
Python 3.9 testing (#161)
Simulations now use a fractional (rather than absolute) min_intensity (#161)
Precession simulations (#161)
2021-03-15 - version 0.4.1#
get_grid_beam_directions default meshing changed to “spherified_cube_edge” from “spherified_cube_corner”
get_grid_beam_directions now behaves correctly for the triclinic and monoclinic cases
2021-01-11 - version 0.4.0#
API reference documentation via Read The Docs: https://diffsims.readthedocs.io
New module: sphere_mesh_generators
New module: detector_functions
New module: ring_pattern_utils
beam precession is now supported in simulating electron diffraction patterns
plot method for DiffractionSimulation
more shape factor functions have been added
This project now keeps a Changelog
get_grid_beam_directions, now works based off of meshes
the arguments in the DiffractionGenerator constructor and the DiffractionLibraryGenerator.get_diffraction_library function have been shuffled so that the former captures arguments related to “the instrument/physics” while the latter captures arguments relevant to “the sample/material”.
CI is now provided by github actions
Python 3.6 testing
ReciprocalLatticePoint handles having only one point/vector