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