1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
|
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:
debhelper-compat (= 13),
dh-sequence-python3,
gir1.2-gtk-3.0,
python3,
python3-cairocffi,
python3-deap,
python3-gi,
python3-matplotlib,
python3-numpy,
python3-scipy,
python3-setuptools,
python3-setuptools-git,
Rules-Requires-Root: no
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.
|
