Run mopac executable

run_mopac(fname)

Arguments

fname

Details

Value

References

Note

See also

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")) }