CRAN
nanop 2.0-6
Tools for Nanoparticle Simulation and Calculation of PDF and Total Scattering Structure Function
Released Sep 25, 2015 by Anton Gagin
This package cannot yet be used with Renjin it depends on other packages which are not available: rgl 0.99.16 and distrEx 2.7.0
Dependencies
This software package implements functions to simulate spherical, ellipsoid and cubic polyatomic nanoparticles with arbitrary crystal structures and to calculate the associated pair-distribution function and X-ray/neutron total-scattering signals. It also provides a target function that can be used for simultaneous fitting of small- and wide-angle total scattering data in real and reciprocal spaces. The target function can be generated either as a sum of weighted residuals for individual datasets or as a vector of residuals suitable for optimization using multi-criteria algorithms (e.g. Pareto methods).