Tools for the simulation of x-ray diffraction.
Project description
Line Profile Analysis - X-Ray Diffraction
This repository is related to the analysis of crystals containing dislocations by X-ray diffraction. It is part of a project conducted during a research internship at the laboratory of material and structural sciences of the École Nationale Supérieure des Mines de Saint-Étienne. Three python packages have been developed to conduct line profile analyses based on simulation results:
lpa.input(line profile analysis input generator)lpa.xrd(line profile analysis x-ray diffraction simulation program)lpa.output(line profile analysis output analyzer)
Features
The package lpa.xrd can be used to:
- automate X-ray diffraction simulations
Installation
The package is indexed on PyPI and installable directly via pip:
pip install -U lpa-xrd
User guide
The directory tests/ contains several examples of package module usage. The docstrings are carefully written and it is recommended to refer to the documentation with the help() command.
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