Indicator fields
cmf_aa_ind_kernel(field, atom1, atom2, alpha)
field | |
---|---|
atom1 | |
atom2 | |
alpha |
##---- Should be DIRECTLY executable !! ---- ##-- ==> Define data, use random, ##-- or do help(data=index) for the standard data sets. ## The function is currently defined as cmf_aa_ind_kernel <- function(field, atom1, atom2, alpha) { val <- 0.0 if (field == atom1$syb && field == atom2$syb) { dist2 <- eucldist2(atom1, atom2) val <- exp(- alpha * dist2 / 4.0) val <- val * sqrt(pi^3 / alpha^3) } val }