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#!/bin/bash
work=./results
reference=./reference
. ../../../environment_variables
BIN_DIR=../../../bin
mkdir -p $work
rm -f $work/*
ld1_command="$PARA_PREFIX $BIN_DIR/ld1.x $PARA_POSTFIX"
echo "ld1_command =" $ld1_command
if test -e difference ; then /bin/rm difference > /dev/null ; fi
touch difference
for atom in ar f fe he cu cu1 h pt mg u u1 w ne_oep c_oep ; do
echo $atom
$ld1_command < $atom.in > $work/$atom.out
echo "diff -wib ./results/$atom.out ./reference/$atom.out" >> difference
diff -wib $work/$atom.out $reference/ >> difference
done
/bin/rm ld1.wfc out_* >& /dev/null
exit 0
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