pert_mdb {conmolfields}R Documentation

Perturbate molecular database

Description

Perturbate molecular database

Usage

pert_mdb(mdb, tcoef = 10)

Arguments

mdb
tcoef

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]