Nothing
"com.xyz" <- function(xyz, mass=NULL, ...) {
xyz <- as.xyz(xyz)
natoms <- ncol(xyz)/3
if(is.null(mass))
mass <- rep(1, times=natoms)
if (natoms != length(mass))
stop("com.xyz: length of input vector 'mass' uequal to number of atoms (ncol(xyz)/3)")
com1 <- function(x) {
xyz <- matrix(x, ncol=3, byrow=T)
com <- colSums(xyz * mass) / sum(mass)
return(com)
}
com <- t(apply(xyz, 1, com1))
colnames(com) <- c("x", "y", "z")
return(com)
}
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