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42 lines
1.0 KiB
Bash
42 lines
1.0 KiB
Bash
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#!/bin/bash
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# This script is used by the determinants module, and should not be used by users.
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# It copies the EZFIO/determinants directory to EZFIO/save/determinants/determinants.n_det
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if [[ -z ${QP_ROOT} ]] ; then
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print "The QP_ROOT environment variable is not set."
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print "Please reload the quantum_package.rc file."
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exit -1
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fi
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EZFIO="$1"
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if [[ -z "${EZFIO}" ]] ; then
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echo "Error in $0"
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exit 1
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fi
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NDET=$(head -1 "${EZFIO}/determinants/n_det" | xargs printf "%09d") #xargs trims the result
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NSTATE=$(head -1 "${EZFIO}/determinants/n_states" | xargs) #xargs trims the result
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DESTINATION="save/determinants/determinants.${NSTATE}.${NDET}.tar"
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cd "${EZFIO}"
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BACKUP="${DESTINATION}.old"
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if [[ -f "${BACKUP}" ]] ; then
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rm -f "${BACKUP}"
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fi
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if [[ -f "${DESTINATION}" ]] ; then
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mv "${DESTINATION}" "${BACKUP}"
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fi
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if [[ ! -d save/determinants ]] ; then
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mkdir -p save/determinants
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fi
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tar cf ${DESTINATION} determinants
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#tar cf dets_tmp.tar determinants
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#mv --backup=t dets_tmp.tar ${DESTINATION}
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