sxrdcalc
sxrdcalc / sxrdcalc
Software for calculations and analysis related to surface X-ray diffraction
Overview
sxrdcalc is a software for calculations related to surface X-ray diffraction
Typical use cases
- Calculate X-ray diffraction intensities from a surface layer and Patterson maps
- Fit a model structure to experimental data by least-squares fitting or simulated annealing
README
sxrdcalc
sxrdcalc was developed to analyse the surface X-ray diffraction data. It can be used to calculate X-ray diffraction intensities from a surface layer, to calculate a Patterson map of experimental data, and to fit a model structure to experimental data using either a Levenberg-Marquardt least-squares fit or simulated annealing.
Please cite Ref. [1], if you use the present software package in a research paper.
Requirement
C compiler (intel, GNU, etc. )
GNU scientific library
Install
Makefile is prepared for compiling sxrdcalc. After editting Makefile, type "make".
Licence
The distribution of the program package and the source codes for sxrd follow GNU General Public License version 3 (GPL v3).
Author
Wolfgang Voegeli (Department of Physics, Tokyo Gakugei University)
[1] W. Voegeli, K. Akimoto, T. Aoyama, K. Sumitani, S. Nakatani, H. Tajiri, T. Takahashi, Y. Hisada, S. Mukainakano, X. Zhang, H. Sugiyama, H. Kawata, Applied Surface Science 252 (2006) 5259
Source: https://github.com/sxrdcalc/sxrdcalc README
Richness
Richness = how many of docs / examples / tests are in place, shown as 0–3 stars (1 star = 1 item; the checklist below is the breakdown). Software listed by hand (without repository data) is not assessed and is left out when filtering by a richness of 1 or more.
- Yes: README
- Yes: LICENSE
- Yes: docs
- No: examples
- No: tests
- No: CITATION
- No: release
Information
- Primary language
- C
- Languages
- C, Makefile
- License
- GPL-3.0
- Provider
- github