/usr/share/votca/scripts/inverse/postadd_acc_convergence.sh is in votca-csg-scripts 1.3.0-3.
This file is owned by root:root, with mode 0o755.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 | #! /bin/bash
#
# Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
#
# Licensed under the Apache License, Version 2.0 (the "License");
# you may not use this file except in compliance with the License.
# You may obtain a copy of the License at
#
# http://www.apache.org/licenses/LICENSE-2.0
#
# Unless required by applicable law or agreed to in writing, software
# distributed under the License is distributed on an "AS IS" BASIS,
# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
# See the License for the specific language governing permissions and
# limitations under the License.
#
if [ "$1" = "--help" ]; then
cat <<EOF
${0##*/}, version %version%
postadd accumulate convergence script: accumulate \${name}.conv of all steps
Usage: ${0##*/} infile outfile
EOF
exit 0
fi
[[ -z $1 || -z $2 ]] && die "${0##*/}: Missing arguments"
name=$(csg_get_interaction_property name)
lastdir=$(get_last_step_dir)
if [ -f "${lastdir}/${name}.aconv" ]; then
cp_from_last_step "${name}.aconv"
else
touch "${name}.aconv"
fi
if [[ ! -f ${name}.conv ]]; then
do_external postadd convergence "$1" "$2"
fi
critical echo "$(get_current_step_nr) $(cat ${name}.conv)" >> "${name}.aconv"
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