diffsims 0.1.2

diffsims 0.1.2 is an open-source Python library for diffraction simulations.

This is a patch release to update the setup.py for continuous integration and conda-forge packaging.

diffsims 0.1.1

diffsims 0.1.1 is an open-source Python library for diffraction simulations.

This is a patch release to update the readme, following first release and add a missing init file in diffsims.sims.

diffsims 0.1.0

diffsims 0.1.0 is an open-source Python library for diffraction simulations.

The code for diffsims 0.1.0 has been factored out from pyXem 0.8.1.

Features

• StructureLibraryGenerator - for creating a library of diffpy structures and orientations from which to simulate diffraction.

• DiffractionGenerator - for simulating kinematical electron diffraction patterns in 2D and 1D.

• LibraryGenerator - for simulating a library of diffraction patterns for all structures and orientations.

• StructureLibrary - contains structures and libraries from which diffraction is calculated.

• VectorLibrary - contains HKLI information for indexation based on finding diffraction vectors.

• DiffractionLibrary - contains diffraction simulations for various structures and orientations.

• DiffractionSimulation - object for storing a 2D HKLI diffraction simulation.

• Various utility functions and a test suite with comprehensive coverage are also included.