python3-pyxrd - 0.8.4-5 main

python implementation of the matrix algorithm for computer modeling
of X-ray diffraction (XRD) patterns of disordered lamellar
structures. It's goals are to:
- provide an easy user-interface for end-users
- provide basic tools for displaying and manipulating XRD patterns
- produce high-quality (publication-grade) figures
- make modelling of XRD patterns for mixed-layer clay minerals 'easy'
- be free and open-source (open box instead of closed box model)
.
PyXRD was written with the multi-specimen full-profile fitting method
in mind. A direct result is the ability to 'share' parameters among
similar phases. This allows for instance to have an air-dry and a
glycolated illite-smectite share their coherent scattering domain
size, but still have different basal spacings and interlayer
compositions for the smectite component. Or play with the
di/tri-octahedral composition of a chlorite with ease.