# -*- coding: utf-8 -*-

# @Time  : 2022/7/26 14:30
# @Author : boliqq07
# @Software: PyCharm
# @License: MIT License


"""
Due to the CHGCAR file are large, We don't use python code to get chg_diff. (CHGCAR2-CHGCAR1)
Result = f2 - f1, make sure the rank of paths in two files are matching. Such as:

file1             file2
--------          ---------
|p1               |p1'
|p2               |p2'
|...              |...
--------          ---------

"""

"""
Copy follow code to form one ”chg_diff.sh“ file, and 'sh chg_diff.sh':
############
#!/bin/bash

old_path=$(cd "$(dirname "$0")"; pwd)

paste  paths1.temp paths2.temp| while read chg1 chg2;
do

echo "Try to" $chg2 "-" $chg1 ">>>"

n1=${chg1//\//_}
n2=${chg2//\//_}

~/bin/chgdiff.pl $chg1/CHGCAR $chg2/CHGCAR

mv CHGCAR_diff $n1$n2-"CHGCAR_diff"

echo $n1$n2-"CHGCAR_diff" "store in" $old_path


done
########"""

