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cda (version 1.3.3.1)

circular_dichroism_spectrum: circular_dichroism_spectrum

Description

Simulate a CD spectrum

Usage

circular_dichroism_spectrum(cluster, material,
    medium = 1.33, N = 100,
    averaging = c("GL", "QMC", "grid"), full = TRUE,
    progress = FALSE, result.matrix = FALSE)

Arguments

cluster
cluster (list)
material
material
medium
refractive index medium
N
number of integration points
averaging
averaging method, using either Gauss Legendre quadrature (default), Quasi Monte Carlo, or regular grid
full
logical use full (retarded) dipolar field
progress
print progress lines
result.matrix
logical return the results as a matrix

Details

CD spectrum