This is an old revision of the document!
currently in development
Bug fixes for anisotropic atoms Fitting routines More option to choose the reciprocal lattice coordinates
Support for unordered slabs: New function slabs.CreateHom New function slabs.CreateInterface New function slabs.CreateCrystal convertcrystal stabilized and more functions added. New stabilized interpretation of layer structure (Token based and more error messages)
Added kinematical scattering Support for magnetic atoms
Added Powder diffraction tutorial Reduced memory usage for parallelization (save intensities instead of matrices) Matrix accuracy: Diagonal approximation is enabled.
Added Powder diffraction tutorial Reduced memory usage for parallelization (save intensities instead of matrices) Matrix accuracy: Diagonal approximation is enabled.
Add atoms with anisotropic scattering tensors Changed the way atoms are handled handling in the script (new atom type) Changed the geometry, especially the z-direction. The incoming wave vector in z-direction must be negative at all time. SetThetaHKL returns an negative index if there is no plane found Improved Documentation of the functions in Readme SetThetaHKL supports non-integer l-values Tutorial6: Use SetThetaHKL for truncation rod Laue-Picture Tutorial added Parallelization Tutorial added Support of different accuracies of multiple scattering (new function SetMultipleScattering)
Initial release