#! /bin/sh
if test ! $# -eq 1
then
	echo usage : mopac7 inputfile
	exit 1
fi

if test ! -f $1.dat
then
	echo error : inputfile $1.dat not found
	exit 1
fi

export FOR005=$1.dat	## input
export FOR006=$1.out	## output
export FOR009=$1.res	## restart
export FOR010=$1.den	## density matrix
export FOR011=$1.log	## logfile
export FOR012=$1.arc	## archive/summary file

echo starting mopac7 job $1
./src/mopac7
echo mopac7 job $1 finished

if test -f SHUTDOWN
then
	rm SHUTDOWN
fi
