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#!/bin/csh -f
#
set job = $1
set mopacdir = /usr/local/bin
set smallmopac = MOPAC7
#
# Check that prior copies of files do not exist
foreach file (out log arc end)
if -e $job.$file mv $job.$file $job.$file.$$
end
#
# Now, make all the necessary assignments
#
setenv FOR005 $job.dat
setenv FOR006 $job.out
setenv FOR009 $job.res
setenv FOR010 $job.den
setenv FOR011 $job.log
setenv FOR012 $job.arc
setenv FOR013 $job.gpt
setenv FOR016 $job.syb
setenv FOR020 $job.ump
setenv SETUP SETUP.DAT
setenv SHUTDOWN $job.end
if -e core rm core
if -e fort.2 rm fort.2
if -e fort.16 rm fort.16
#
time $mopacdir/$smallmopac >> $job.log
#
echo job $job is finished
head -3 $job.dat
if -e core rm core
if -e fort.2 rm fort.2
if -e fort.16 rm fort.16
#
if -e SHUTDOWN rm SHUTDOWN
if -e $job.end rm $job.end
if -e nul rm nul
exit
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