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quack/utils/cp2input

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2019-02-07 22:49:12 +01:00
#! /bin/bash
if [ $# -lt 2 ]
then
echo "At least 2 arguments required [Molecule] [Basis] [AuxBasis] !!"
fi
if [ $# = 2 ]
then
cp molecule."$1" ../input/molecule
cp basis."$1"."$2" ../input/basis
elif [ $# = 3 ]
then
cp molecule."$1" ../input/molecule
cp basis."$1"."$2" ../input/basis
cp auxbasis."$1"."$3" ../input/auxbasis
fi