compare.sh
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	#!/bin/sh

	for s in .data--* ; do \
	t=`echo $s \| sed -e 's/.data-/.ref-/'`
	c=`echo $s \| sed -e 's/.data-/.coeff-/'`
	grep -v LAMMPS $s \| sed -e 's/-0\.0000000000/0.0000000000 /g' > ${t}
	test -f $c && grep -v LAMMPS $c \| sed -e 's/-0\.0000000000/0.0000000000 /g' >> ${t}
	if [ -f refoutput/${t} ]
	then
	diff refoutput/${t} $t && rm $t
	else
	echo no reference output for $s
	fi
	done