Installation

Diffcalc in the newer python only version (diffcalc-core) requires numpy and scipy. We would like to use it within slic in the future and all dependencies are already in our slic environment.

So let's set this up here:

cd /sf/cristallina/applications/general_tools/diffcalc
git clone https://github.com/DiamondLightSource/diffcalc-core.git
conda activate slic
python -e .

Usage

As a start we can run the example script (in this directory):

conda activate slic
ipython -i examples/six_circle.py

which sets up a crystal, adds some reflections, calculates the UB matrix and performs a psi scan.