pert_mdb {conmolfields} | R Documentation |
Perturbate molecular database
Description
Perturbate molecular database
Usage
pert_mdb(mdb, tcoef = 10)
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 (mdb, tcoef = 10)
{
ncomp <- length(mdb)
mdb_p <- list()
for (imol in 1:ncomp) {
mol <- mdb[[imol]]
mol_p <- pert_mol(mol, tcoef)
mdb_p[[imol]] <- mol_p
}
mdb_p
}
[Package
conmolfields version 0.0-19
Index]