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Source: pyxrd
Maintainer: Debian PaN Maintainers <debian-pan-maintainers@alioth-lists.debian.net>
Uploaders:
Debian Science Maintainers <debian-science-maintainers@lists.alioth.debian.org>,
Roland Mas <lolando@debian.org>
Section: science
Priority: optional
Build-Depends: dh-python, python3, python3-setuptools,
python3-setuptools-git, python3-mock, python3-gi, gir1.2-gtk-3.0,
python3-numpy, python3-scipy, python3-cairocffi, python3-matplotlib, python3-deap,
debhelper (>= 13)
Standards-Version: 4.5.1
Homepage: https://github.com/PyXRD/PyXRD
Vcs-Git: https://salsa.debian.org/science-team/pyxrd.git
Vcs-Browser: https://salsa.debian.org/science-team/pyxrd
Package: python3-pyxrd
Architecture: any
Depends: ${misc:Depends}, ${python3:Depends}, ${shlibs:Depends}
Description: modeling of X-ray diffraction (XRD) patterns of disordered lamellar structures
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.
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