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nanop  

Tools for Nanoparticle Simulation and Calculation of PDF and Total Scattering Structure Function
View on CRAN: Click here


Download and install nanop package within the R console
Install from CRAN:
install.packages("nanop")

Install from Github:
library("remotes")
install_github("cran/nanop")

Install by package version:
library("remotes")
install_version("nanop", "2.0-6")



Attach the package and use:
library("nanop")
Maintained by
Anton Gagin
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2010-05-06
Latest Update: 2022-12-05
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-rayneutron 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.
How to cite:
Anton Gagin (2010). nanop: Tools for Nanoparticle Simulation and Calculation of PDF and Total Scattering Structure Function. R package version 2.0-6, https://cran.r-project.org/web/packages/nanop
Previous versions and publish date:
1.0-1 (2010-05-06 07:40), 1.0 (2009-12-06 11:08), 2.0-1 (2013-08-20 19:15), 2.0-2 (2013-10-25 10:46), 2.0-3 (2014-05-23 18:33), 2.0-4 (2014-08-25 22:30), 2.0-5 (2015-04-08 00:54), 2.0-6 (2015-09-25 13:43)
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Functions, R codes and Examples using the nanop R package
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