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: | 2.0-6 |
| Imports: | distrEx, rgl |
| Suggests: | DEoptim, mco |
| Published: | 2015-09-25 |
| Author: | Anton Gagin, Katharine Mullen, Igor Levin |
| Maintainer: | Anton Gagin <av.gagin at gmail.com> |
| License: | GPL-2 | GPL-3 [expanded from: GPL (≥ 2)] |
| URL: | http://scripts.iucr.org/cgi-bin/paper?S1600576714001046 |
| NeedsCompilation: | yes |
| Citation: | nanop citation info |
| Materials: | NEWS |
| CRAN checks: | nanop results |
| Reference manual: | nanop.pdf |
| Package source: | nanop_2.0-6.tar.gz |
| Windows binaries: | r-devel: nanop_2.0-6.zip, r-release: nanop_2.0-6.zip, r-oldrel: nanop_2.0-6.zip |
| macOS binaries: | r-release: nanop_2.0-6.tgz, r-oldrel: nanop_2.0-6.tgz |
| Old sources: | nanop archive |
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