Overview¶
pyemaps package is a collection of python modules and libraries designed for transmission electron diffraction simulations and related crystallographic calculations for all crystal systems. The simulation is based on the theories of kinematical and dynamical electron diffraction, as described by Spence and Zuo in the book of Electron Microdiffraction (Plenum, New York, 1992).
Pyemaps serves as the backbone of cloudEMAPS2.0 and can also be used as a fully functional Python package.
Current features include:
Crystallography
Crystal constructor
Loading from a built-in crystal library
CIF import
Crystallographic transformations
Real and reciprocal vector calculations
Stereodiagram plotting
Crystal Structure Factors Calculations
Electron diffraction pattern, kinematical
Selected area diffraction
Kikuchi and high order Laue zone line geometry
Convergent beam electron diffraction
Electron powder diffraction simulations
Electron diffraction pattern, dynamical
Convergent beam electron diffraction
Electron scattering Matrix
Electron dispersion
New features in PREVIEW (starting from v1.0.2)
Electron diffraction patterns database builder and explorer
In development¶
Coherent convergent beam electron diffraction
Electron image simulation
Pendellösung calculation
Electron diffraction orientation mapping
Implementation¶
pyemaps is implemented as the object-oriented python modules supported by compiled Fortran 90 libraries that handle the backend computations.
Check out the Getting Started section for further information, including how to install pyemaps package.
Note
pyemaps is currently under active production/stable development phase.
Note
Developer
Pyemaps is developed by EMLab Solutions, Champaign, IL for non-commercial microscopy and crystallography research and education. We welcome community input, contributions, and donations PayPal. Your generous support will help the development of free software to the electron microscopy and research communities.