JMultiSlice is C++ library code providing routines for fast multislice calculations on multiple CPU and single GPU. Routine interfaces are delivered by classes.

A multislice algorithm [1] approximates the solution of the coupled system of differential equations describing the dynamic electron diffraction (multiple scattering) in a crystal for fast electrons. The approximation is based on making discrete steps of the forward scattering along the main propagation direction of the electrons. For each step, the 3d crystal scattering potential is projected in a thin slice, assuming that the effect of each slice is a small deflection of the electron. This allows to separate the scattering from the propagation to the next slice for faster numerical calculation.

[1] J.M. Cowley and A.F. Moodie, Acta. Cryst. 10 (1957) p. 609. https://doi.org/10.1107/S0365110X57002194

Detailed reference to the approaches used in the code is given in [2].

[2] J. Barthel, Ultramic. 193 (2018) p. 1. https://doi.org/10.1016/j.ultramic.2018.06.003

In your code, declare an object of CJMultiSlice and use its member functions to setup calculation parameters.

Example, see test/JMSBench1

The program JMSBench1 is available as project in the test sub folder. More tests have been made with the class interface CJMultiSlice in the Dr. Probe graphical user interface.

Current version: 0.45

See Changes.txt for reading on recent modifications.

You are welcome to propose further changes. A list with possible future steps is maintained in the file ToDo.txt.