Last change
on this file since 725869 was a0bcf1, checked in by Frederik Heber <heber@…>, 17 years ago |
-initial commit
-Minimum set of files needed from ESPACK SVN repository
-Switch to three tantamount package parts instead of all relating to pcp (as at some time Ralf's might find inclusion as well)
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-
Property mode
set to
100755
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File size:
606 bytes
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1 | #!/bin/sh
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2 | #
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3 | # Collects last lines from different ecut dirs into results${suf} for plotting
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4 |
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5 | . suffix
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6 |
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7 | if [ -z "$2" ]; then
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8 | echo "Usage: $0 <molecule dir> <variable>"
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9 | echo "e.g. ./$0 /tmp/C2H6 sigma_i0_t1"
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10 | exit 1
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11 | fi
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12 |
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13 | ecuts=1
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14 | i=1
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15 | while [ "$i" -lt 128 ]; do
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16 | let i=$i+1
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17 | ecuts="$ecuts $i"
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18 | done
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19 |
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20 | #echo $ecuts
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21 | #exit 1
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22 |
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23 | . suffix
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24 |
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25 | RES="${1}/results-$2${suf}"
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26 | DATE="`date`"
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27 | echo "# Results of variable $2 from molecule $1, gathered on $date" >$RES
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28 |
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29 | # gather last lines
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30 | for i in $ecuts; do
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31 | if [ -e "${1}/${i}Ht/pcp.${2}${suf}" ]; then
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32 | tail -n 1 ${1}/${i}Ht/pcp.${2}${suf} >>$RES 2>>/dev/null
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33 | fi
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34 | done
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35 |
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36 | exit 0
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