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executable file
·46 lines (37 loc) · 1.13 KB
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force.sh
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executable file
·46 lines (37 loc) · 1.13 KB
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#!/bin/bash
bold=`tput bold`
normal=`tput sgr0`
source /opt/METACOMP/amd64/mcfdenv.sh
evocDir=$(pwd)
# for dir in Mach_*
# do
# if [ -f "$dir".{temp,out} ]
# then
# echo "Removing old files"
# rm "$dir".{temp,out}
# fi
# done
rm Mach*.{out,temp}
for dir in Mach_*
do
cd $dir
Mach="${dir##*_}"
echo $bold $Mach $normal
for subdir in AOA*
do
cd $subdir
AOA="${subdir##*_}"
# echo $AOA
/opt/METACOMP/amd64/mlib/mcfd.12.1/exec/infout1r &> /dev/null
tail -n +13 minfo1_e1 > forces_out.dat
# tail -"$1" forces_out.dat |awk -v aa=$AOA '{{printf aa " "} for (i=1;i<=NF;i++){a[i]+=$i}}END{for (i=1;i<=NF;i++){printf a[i]/(NR)" "};printf "\n"}' >> "$evocDir"/"$dir".temp
tail -"$1" forces_out.dat |awk -v aa=$AOA '{for (i=1;i<=NF;i++){a[i]+=$i}}END{printf aa " "; for (i=1;i<=NF;i++){printf a[i]/(NR)" "};printf "\n"}' >> "$evocDir"/"$dir".temp
# awk '{ sum += $3 } END { if (NR > 0) print sum / NR }' forces_out.dat
# echo $dir/$subdir
# tail -"$1" forces_out.dat |awk -v aa=$AOA '{print aa "\t"}'
cd ..
done
sort -n < "$evocDir"/"$dir".temp > "$evocDir"/"$dir".out
rm "$evocDir"/"$dir".temp
cd ..
done