#!/bin/bash 
# specify the QP folder 
QP=$QP_ROOT
dir=${QP}
# sourcing the quantum_package.rc file
. ${QP}/quantum_package.rc
# script that copy all data from |AO| basis and nuclei of EZFIO_extra to the ao_extra_basis and extra_nuclei of EZFIO_target
# use:
# qp_copy_extra_basis EZFIO_extra EZFIO_target
EZFIO_extra=${1%/}
EZFIO_extra=${EZFIO_extra%.xyz}
EZFIO_target=${2%/}



echo "********** SCRIPT TO COPY DATA FROM EZFIO TO ANOTHER *********"
echo "Extracting data from "$EZFIO_extra 
echo "and Copying data to  "$EZFIO_target

### COPYING ALL DATA FROM $EZFIO_extra/nuclei/ to ${EZFIO_target}/extra_nuclei/
echo "COPYING ALL DATA FROM "$EZFIO_extra"/nuclei/ to "${EZFIO_target}"/extra_nuclei/"
direxists=false
if [ -d ${EZFIO_target}/extra_nuclei/ ] ; then
 direxists=true
 echo "The directory extra_nuclei exists"
 else
 echo "Creating the directory extra_nuclei "
 direxists=false
 mkdir ${EZFIO_target}/extra_nuclei/
fi
data=`\ls $EZFIO_extra/nuclei/`
for i in $data
do
 echo $i
 newfile=`echo $i | sed 's/nucl/extra_nucl/g' `
 echo $newfile
 cp ${EZFIO_extra}/nuclei/$i ${EZFIO_target}/extra_nuclei/$newfile
done

### COPYING ALL DATA FROM $EZFIO_extra/ao_basis/ to ${EZFIO_target}/ao_extra_basis/
direxists=false
if [ -d ${EZFIO_target}/ao_extra_basis/ ] ; then
 direxists=true
 echo "The directory exists ao_extra_basis"
 else
 echo "Creating the directory ao_extra_basis"
 direxists=false
 mkdir ${EZFIO_target}/ao_extra_basis/
fi
echo "COPYING ALL DATA FROM "$EZFIO_extra"/ao_basis/ to "${EZFIO_target}"/ao_extra_basis/"
data=`\ls $EZFIO_extra/ao_basis/`
for i in $data
do
 echo $i
 newfile=`echo $i | sed 's/ao/ao_extra/g' `
 echo $newfile
 cp ${EZFIO_extra}/ao_basis/$i ${EZFIO_target}/ao_extra_basis/$newfile
done
i=primitives_normalized
newfile=primitives_normalized_extra
cp ${EZFIO_extra}/ao_basis/$i ${EZFIO_target}/ao_extra_basis/$newfile

echo "COPYING ALL DATA FROM "$EZFIO_extra"/aux_quantities/ to "${EZFIO_target}"/ao_extra_basis/"
i=data_one_e_dm_tot_ao.gz
newfile=ao_extra_one_e_dm.gz
cp ${EZFIO_extra}/aux_quantities/$i ${EZFIO_target}/ao_extra_basis/$newfile