cda (version 1.2.1)

circular_dichroism_spectrum: circular_dichroism_spectrum

Description

Simulate a CD spectrum

Usage

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

Arguments

cluster

cluster (list)

material

material

n

refractive index medium

N

number of integration points

averaging

averaging method, using either Quasi Monte Carlo, Gauss Legendre, 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