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38 lines
850 B
Bash
38 lines
850 B
Bash
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#!/bin/bash
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# Stage 2 of the bicrystal unit population program will run
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# relax_sample_and_box.sh for any LAMMPS input files found under <root dir>,
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# thus creating a unit cell for PBC from each sample.
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# Usage: ./stage2.sh <root dir>
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script_dir=$( cd $(dirname $0) ; pwd -P |sed 's@^\(.*/scripts\).*@\1@')
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bin_dir=$script_dir/../bin
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root_dir=$1
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# find all input files
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input_files=$(find $root_dir -name '*.input')
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num_files=$(echo $input_files|wc -w)
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echo Found $num_files input files.
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count=0
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echo -n "0% complete."
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# relax sample/box
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for input_file in $(echo $input_files); do
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$script_dir/run/relax_sample_and_box.sh $input_file
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(( count++ ))
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ratio=$(echo "
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scale=2
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count = $count
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num = $num_files
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ratio = count / num
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ratio
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" | bc)
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percent=$(echo $ratio|sed 's/\.//')
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echo -ne "\r${percent}% complete."
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done
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echo -en "\n"
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