odatse-SXRD: solver module for analyses of SXRD data
Open Data Analysis Tool for Science and Engineering (ODAT-SE) is a framework for applying a search algorithm to a direct problem solver to find the optimal solution. It has been developed by the name 2DMAT, and since version 3.0, it is organized as an open platform for data analysis by modularizing direct problem solvers and search algorithms.
`sxrdcalc` has been developed as a software package for the analyses of the surface X-ray diffraction (SXRD) data, which calculates the X-ray diffraction intensity from surface, the Patterson map of experimental data, and the fitting of model structure to the experimental data by Levenberg-Marquadt method or simulated annealing method. `odatse-SXRD` is an adaptor library to use sxrdcalc as a direct problem solver of ODAT-SE.
Requirement
- Python3, [ODAT-SE](https://github.com/issp-center-dev/ODAT-SE), numpy, and pydantic.
- sxrdcalc package.
License
The distribution of the program package and the source codes for odatse-SXRD follow GNU General Public License version 3 ([GPL v3](https://www.gnu.org/licenses/gpl-3.0.en.html)).
Copyright (c) <2020-> The University of Tokyo. All rights reserved.
This software was developed with the support of "Project for Advancement of Software Usability in Materials Science" of The Institute for Solid State Physics, The University of Tokyo.
Authors
Y. Motoyama (ISSP, University of Tokyo),
K. Yoshimi (ISSP, University of Tokyo),
T. Aoyama (ISSP, University of Tokyo),
T. Hoshi (National Institute for Fusion Science).