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# -*- coding: utf-8 -*- | |
# @Date : 2017-03-14 22:03:55 | |
# @Author : "zhangjiawei" | |
# @Email : "aaronzjw@icloud.com" | |
# @Link : ${https://github.com/jwz-ecust} | |
# @Version : $Id$ | |
from goose import Goose | |
from goose.text import StopWordsChinese |
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// Use Gists to store code you would like to remember later on | |
console.log(window); // log the "window" object to the console |
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def read_contcar(contcar_path): | |
''' | |
read data from contcar file | |
return coordiante_array and atom_list | |
Target: 需要读取 原子种类, 原子坐标, 晶胞参数 | |
return: | |
lattice (a. b. c) | |
atom, x, y, z, tf_x, tf_y, tf_z | |
''' | |
with open(contcar_path, 'r') as f: |
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