run_mopac: Run mopac executable

In conmolfields: Continuous molecular fields

Description

Run mopac executable

Usage

run_mopac(fname)

Arguments

fname

Examples

##---- Should be DIRECTLY executable !! ----
##-- ==>  Define data, use random,
##--	or do  help(data=index)  for the standard data sets.
## mopac2012.exe has to be localy installed
## Please refer to http://openmopac.net/MOPAC2012.html for the installation instractions
## The function is currently defined as
run_mopac <- function(fname)
{
  shell(paste("mopac2012.exe", "aaa.mop"))
}

conmolfields documentation built on May 2, 2019, 4:18 p.m.