Search Results for "structure" - Page 2

Keywords: -simultaneously fit several SAXS and SANS data sets with polydisperse (Schultz-Zimm or Gaussian distribution f(R)) spherical core-shell-shell nanoparticles -analytical expressions are used for from factor F(Q) and its integral over f(R), no numerical integration required -absolute units -Mathematica is required via console (MathKernel) -Mathematica's local and global optimizers (simulated annealing, differential evolution, Nelder-Mead, ...) can be used -range for fit parameters and further constraints between fit parameters are possible -Monodisperse(!) hard sphere structure factor can be used, too -long computation times (depending on problem size and amount of constraints) from hours to a few days are possible -non-parallelized code

A short and simple hydrodynamic Godunov code using a cell-based structure. This program is free to use. It was designed mainly for teaching purposes and it is made freely available in the hope that someone may find it useful.

Nuclei is a software tool for the displaying of nuclear decay schemes and estimated energy spectra, the calculation of angular γ emission anisotropies, and the automated search for appropriate decay cascade properties. It uses the Evaluated Nuclear Structure Data Files (ENSDF). A description of Nuclei's functionality and results obtained using its search method was published in Nuclear Instruments and Methods in Physics Research, Section A: M. Nagl, et al., NIM A 726 (2013), 17-30 [doi:10.1016/j.nima.2013.05.045] ------------------------- © 2012-2013, Matthias Nagl, II. ...

pyanpha is a shell-based program, which applies the multi-wavelength anomalous diffraction technique to Surface Diffraction. It enables one to calculate the phases of the structure factors of crystal truncation rods when anomalous scatterers are present in the thin film. Functionality extends to standalone simulations. It was coined pyanpha which is an acronym for PYthon ANomalous PHAsing and it is written in python.

PySpline is a graphical, cross-platform program for processing X-ray absorption spectroscopy (XAS) and Extended X-ray absorption fine structure (EXAFS) data. It allows processing parameters to be adjusted and observe the effect on R-space data.

LabDiary is a program for managing laboratory experiments in a sophisticated way. It is very easy to use - you can link experiments logically with each other, associate files to an experiment and structure all your data.

IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be

This software analyzes periodic dielectric gratings using an efficient numerical scheme based on Floquet Bloch theory. The software finds the propagation modes of a multilayer dielectric waveguide structure with periodic corrugations.

Collection of scripts converting structure data files into different formats (e.g. CTRL to POSCAR).

The ESCL is a class library that can be used to develop electronic structure codes like those that are used in computational condensed matter physics. An object-oriented approach is suitable since real-world items like atoms and electrons are modeled.

a C++ template container implementation of k-dimensional space sorting based on the kd-tree data structure. THIS PROJECT HAS MOVED TO ALIOTH.DEBIAN.ORG

Refl2EXAFS is an utility for the analysis of extended x-ray absorption fine structure (EXAFS) data collected in total reflection mode (reflEXAFS).