| Last change
 on this file since 255d13 was             a0bcf1, checked in by Frederik Heber <heber@…>, 18 years ago | 
        
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-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 | 
        
          | 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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