Overview
ReciPro is software that simulates and analyzes crystallographic calculations, electron diffraction, X-ray diffraction, and high-resolution (S)TEM images from crystal structure information. The source code is available at github.com/seto77/ReciPro. Please let us know your comments and requests via email (seto.y@omu.ac.jp) or Issue on GitHub (github.com/seto77/ReciPro/issues).
Install
Go to the following page to download and run the latest version of the “ReciProSetup.msi” file.
https://github.com/seto77/ReciPro/releases/latest
If you get the warning “Windows have protected Your PC”, press “More Information” and then press the Run button. Note that to run ReciPro, you must pre-install .Net Desktop Runtime 8.0 (note that it is not . NET Runtime 8.0) page to download it.
Manual
Basically, the manual is available on this website. Please refer to the following pages.
Also please visit https://github.com/seto77/ReciPro/wiki.
ReciPro featrues
Space Groups and Atomic Information
ReciPro has a built-in space group database, which contains 230 space groups from International Tables for Crystallography Volume A, plus a subset (530) of symmetry elements of space groups (Hall symbols) that take axis exchanges into account, Wykoff positions, general conditions for diffraction, etc. are available. ReciPro also includes information on valence, radius, characteristic X-ray energy, and isotope ratios for elements from atomic numbers 1 (H) to 98 (Cf), as well as parameters needed to approximate atomic scattering factors for X-ray and electrons, and atomic scattering lengths for neutrons.
Crystal database
ReciPro can handle crystal lists containing dozens of major crystal structures in the standard state. Creating a file for each crystal and launching many windows is unnecessary. It also has a built-in database (AMCSD) containing more than 20,000 crystal structures that can be easily searched and added to the crystal list.
Free crystal orientation
In ReciPro, crystal orientation can be set in terms of crystal zone axis index or crystal plane index, or it can be rotated to any orientation with the mouse. The rotational state of the crystal is also used synchronously when simulating crystal structures, stereonets, or single-crystal diffraction.
Diffraction simulation
ReciPro can simulate the diffraction of various optical systems for X-ray, electron, and neutron sources. For electron beams, the simulation of restricted field electron diffraction (SAED), precession electron diffraction (PED), and convergent electron diffraction (CBED) are available. For neutron beams, only transmission optics is supported; for X-ray and neutron diffraction simulations, intensity calculations based on the kinematic approximation are supported. For diffraction simulations of electron beams, intensity calculations based on kinetic diffraction theory (Bloch wave method) are supported.
License
This software is distributed under the MIT License. Anyone is free to use this software free of charge.
System requirements
Some of ReciPro’s functions require significant computational resources. To improve speed, we use multi-threading and GPU utilization whenever possible. For comfortable use, we recommend the use of a computer with high computing power, such as those with the following specifications
- Windows 11
- Memory: >16 GB
- CPU: >8 core CPU
- GPU: OpenGL >1.3
Reference
If you have used ReciPro to publish an academic article, please cite the following references
Seto, Y. & Ohtsuka, M. (2022). J. Appl. Cryst. 55, https://doi.org/10.1107/S1600576722000139.