nanop: Tools for Nanoparticle Simulation and Calculation of PDF and Total Scattering Structure Function
Version 2.0-6

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).

Getting started

Package details

AuthorAnton Gagin, Katharine Mullen, Igor Levin
Date of publication2015-09-25 13:43:04
MaintainerAnton Gagin <[email protected]>
LicenseGPL (>= 2)
Package repositoryView on CRAN
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nanop documentation built on May 30, 2017, 7:22 a.m.