nanop: Tools for Nanoparticle Simulation and Calculation of PDF and Total Scattering Structure Function

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).

Version: 2.0-4
Imports: distrEx, rgl
Suggests: DEoptim, mco
Published: 2014-08-25
Author: Anton Gagin, Katharine Mullen, Igor Levin
Maintainer: Anton Gagin <anton.gagin at nist.gov>
License: GPL-2 | GPL-3 [expanded from: GPL (≥ 2)]
URL: http://journals.iucr.org/j/issues/2014/02/00/to5066
NeedsCompilation: yes
Citation: nanop citation info
Materials: NEWS
CRAN checks: nanop results

Downloads:

Reference manual: nanop.pdf
Package source: nanop_2.0-4.tar.gz
Windows binaries: r-devel: nanop_2.0-4.zip, r-release: nanop_2.0-4.zip, r-oldrel: nanop_2.0-4.zip
OS X Snow Leopard binaries: r-release: nanop_2.0-4.tgz, r-oldrel: nanop_2.0-4.tgz
OS X Mavericks binaries: r-release: nanop_2.0-4.tgz
Old sources: nanop archive