xrd-simulator 0.0.1

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

Prerequisites

Since xrd_simulator depends on pygalmesh it is neccessary to first install the CGAL and EIGEN packages.

Linux

On Linux:

sudo apt install libcgal-dev libeigen3-dev

MacOS

On MacOS with homebrew:

brew install cgal eigen

Windows

On Windows…:

...

Pip installation

Once CGAL and EIGEN is installed xrd_simulator is available via the pypi channel:

pip install xrd_simulator

Anaconda installation

xrd_simulator is not yet available as a conda package.

Source installation

you may also build form the source. In that case replace the pip instal step above by:

git clone https://github.com/AxelHenningsson/xrd_simulator.git

next, go to the just downloaded directory:

cd xrd_simulator

and install:

python setup.py install