Bug#844618: ITP: bornagain -- Simulating and fitting X-ray and neutron small-angle scattering at grazing incidence
Package: wnpp
Severity: wishlist
Owner: "Mika Pflüger" <debian@mikapflueger.de>
User: debian-science@lists.debian.org
Usertags: field..physics
* Package name : bornagain
Version : 1.7.0
Upstream Author : Scientific Computing Group at MLZ Garching: Jan Burle,
Jonathan M. Fisher, Marina Ganeva, Gennady Pospelov, Walter Van Herck and
Joachim Wuttke
* URL : http://bornagainproject.org
* License : GPL3
Programming Lang: C++, Python
Description : Simulating and fitting X-ray and neutron small-angle
scattering at grazing incidence
BornAgain is a software package to simulate and fit small-angle scattering at
grazing incidence. It supports analysis of both X-ray (GISAXS) and neutron
(GISANS) data. Calculations are carried out in the framework of the distorted
wave Born approximation (DWBA). BornAgain provides a graphical user interface
for interactive use as well as a generic python and C++ framework for modeling
multilayer samples with smooth or rough interfaces and with various types of
embedded nanoparticles.
..
BornAgain supports:
..
Layers:
* Multilayers without any restrictions on the number of layers
* Interface roughness correlation
* Magnetic materials
..
Particles:
* Choice between different shapes of particles (form factors)
* Particles with inner structures
* Assemblies of particles
* Size distribution of the particles (polydispersity)
..
Positions of Particles:
* Decoupled implementations between vertical and planar positions
* Vertical distributions: particles at specific depth in layers or on top.
* Planar distributions:
- fully disordered systems
- short-range order distribution (paracrystals)
- two- and one-dimensional lattices
..
Input Beam:
* Polarized or unpolarized neutrons
* X-ray
* Divergence of the input beam (wavelength, incident angles) following
different distributions
* Possible normalization of the input intensity
..
Detector:
* Off specular scattering
* Two-dimensional intensity matrix, function of the output angles
..
Use of BornAgain:
* Simulation of GISAXS and GISANS from the generated sample
* Fitting to reference data (experimental or numerical)
* Interactions via Python scripts or Graphical User Interface
..
If you use BornAgain in your work, please cite
C. Durniak, M. Ganeva, G. Pospelov, W. Van Herck, J. Wuttke (2015), BornAgain
— Software for simulating and fitting X-ray and neutron small-angle
scattering at grazing incidence, version <version you used>,
http://www.bornagainproject.org
I would like to maintain the package within the debian science team. It would
be great to also get other widely-used free small- and wide-angle scattering
systems into debian, so it would be great to work together with other
interested people to package BornAgain as well as other SAS/WAS software.
Cheers,
Mika
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