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changed name to gnom2fit

updated output formatting to be consistent
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tdgrant1 committed Sep 21, 2017
1 parent 4cea9e8 commit 18a1062fbd8625adc2fd189dc6d08bf629741806
Showing with 1 addition and 1 deletion.
  1. +1 −1 gnom2dat → gnom2fit
@@ -4,5 +4,5 @@ name=${1%.*}
awk '{ sub("\r$", ""); print }' $1 > tmp.out
sed -n -e '/J\ EXP/,/Distance/p' tmp.out | tail -n +3 | sed -e '$ d' > tmp.dat
x=`awk '{if(NF==5) {printf "%s",$3;exit;}}' tmp.dat`
awk '{if(NF==2) {printf "%s %s %.4E\n", $1, $2, '$x'} else {print $1, $5, $3}}' tmp.dat > ${name}_gnom.dat
awk '{if(NF==2) {printf "%s %s %s\n", $1, $2, "'$x'"} else {print $1, $5, $3}}' tmp.dat | sed -e :a -e '$d;N;2,3ba' -e 'P;D' > ${name}_fit.dat
echo

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