Package: nanop
Type: Package
Title: Tools for Nanoparticle Simulation and Calculation of PDF and
        Total Scattering Structure Function
Version: 2.0-6
Author: Anton Gagin, Katharine Mullen, Igor Levin 
Maintainer: Anton Gagin <av.gagin@gmail.com>
Imports: distrEx, rgl
Suggests: DEoptim, mco
Description: 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).
URL: http://scripts.iucr.org/cgi-bin/paper?S1600576714001046
License: GPL (>= 2)
Packaged: 2015-09-24 14:03:34 UTC; ang2
NeedsCompilation: yes
Repository: CRAN
Date/Publication: 2015-09-25 13:43:04
