Tools for diffraction simulation of s3dxrd type experiments.
Project description
Welcome to the xrd_simulator
This is a package for simulating X-ray Difraction from polycrystals
Defines polycrystals as a mesh of tetrahedral single crystals.
Simulates diffraction based on structure factors and a discretized detector array.
Installation
Anaconda installation
The preffered way to install the xrd_simulator package is via anaconda:
conda install -c axiomel xrd_simulator
This is meant work across OS-systems and requires no prerequisites except, of course, that of Anaconda itself.
Pip Installation
Pip installation is possible, however, external dependecies of pygalmesh must the be preinstalled on your system. Installation of these will be OS dependent and documentaiton can be found elsewhere.:
pip install xrd-simulator
Source installation
Naturally one may also install from the sources:
git clone https://github.com/AxelHenningsson/xrd_simulator.git cd xrd_simulator python setup.py install
This will then again require the pygalmesh dependecies to be resolved beforehand.
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