cmf_kernel {conmolfields} | R Documentation |
Computation of the kernel that compares fields of two molecules
Description
Computation of the kernel that compares fields of two molecules
Usage
cmf_kernel(ft, mol1, mol2, alpha)
Arguments
Examples
##---- Should be DIRECTLY executable !! ----
##-- ==> Define data, use random,
##-- or do help(data=index) for the standard data sets.
## The function is currently defined as
function(ft, mol1, mol2, alpha) {
natoms1 <- length(mol1$atoms)
natoms2 <- length(mol2$atoms)
atomlist1 <- 1:natoms1
atomlist2 <- 1:natoms2
cmf_kernel_al(ft, mol1, mol2, alpha, atomlist1, atomlist2)
}
[Package
conmolfields version 0.0-19
Index]