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QuAcK/GoDuck

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#! /bin/bash
set -e
if [ $# -ne 2 ]
then
echo "You need two arguments [Molecule] [Basis] !!"
fi
if [ $# = 2 ]
then
cp examples/molecule."$1" input/molecule
cp examples/basis."$1"."$2" input/basis
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cp basis/"$2" input/basis.qcaml
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cp examples/basis."$1"."$2" input/weight
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# ./bin/IntPak
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./bin/QuAcK
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fi