odatse-STR: solver module for analyses of TRHEPD 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.
`sim-trhepd-rheed` has been developed as a simulator software package for the total-reflection high-energy positron diffraction (TRHEPD) and the reflection high energy electron diffraction (RHEED). It takes atom positions as input and calculates the Rocking Curve of the diffraction intensity. The program is written in Fortran and runs on ordinary Linux environment. `odatse-STR` is an adaptor library to use `sim-trhepd-rheed` as a direct problem solver of ODAT-SE.
Requirement
- Python3, [ODAT-SE](https://github.com/issp-center-dev/ODAT-SE), numpy, and pydantic.
- sim-trhepd-rheed package.
License
The distribution of the program package and the source codes for odatse-STR 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).