xrd-simulator 0.0.4

Tools for diffraction simulation of s3dxrd type experiments.

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.