Last change
on this file since 5bef9d 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)
|
-
Property mode
set to
100755
|
File size:
606 bytes
|
Rev | Line | |
---|
[a0bcf1] | 1 | #!/bin/sh
|
---|
| 2 | #
|
---|
| 3 | # Collects last lines from different ecut dirs into results${suf} for plotting
|
---|
| 4 |
|
---|
| 5 | . suffix
|
---|
| 6 |
|
---|
| 7 | if [ -z "$2" ]; then
|
---|
| 8 | echo "Usage: $0 <molecule dir> <variable>"
|
---|
| 9 | echo "e.g. ./$0 /tmp/C2H6 sigma_i0_t1"
|
---|
| 10 | exit 1
|
---|
| 11 | fi
|
---|
| 12 |
|
---|
| 13 | ecuts=1
|
---|
| 14 | i=1
|
---|
| 15 | while [ "$i" -lt 128 ]; do
|
---|
| 16 | let i=$i+1
|
---|
| 17 | ecuts="$ecuts $i"
|
---|
| 18 | done
|
---|
| 19 |
|
---|
| 20 | #echo $ecuts
|
---|
| 21 | #exit 1
|
---|
| 22 |
|
---|
| 23 | . suffix
|
---|
| 24 |
|
---|
| 25 | RES="${1}/results-$2${suf}"
|
---|
| 26 | DATE="`date`"
|
---|
| 27 | echo "# Results of variable $2 from molecule $1, gathered on $date" >$RES
|
---|
| 28 |
|
---|
| 29 | # gather last lines
|
---|
| 30 | for i in $ecuts; do
|
---|
| 31 | if [ -e "${1}/${i}Ht/pcp.${2}${suf}" ]; then
|
---|
| 32 | tail -n 1 ${1}/${i}Ht/pcp.${2}${suf} >>$RES 2>>/dev/null
|
---|
| 33 | fi
|
---|
| 34 | done
|
---|
| 35 |
|
---|
| 36 | exit 0
|
---|
Note:
See
TracBrowser
for help on using the repository browser.