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分享最近刚写的生成单层或者多层石墨烯(氮化硼)的python脚本,生成格式为LAMMPS data 格式
用法:在input.py里面输入参数,然后运行Built.py
#!/usr/bin/python
# -*- coding: UTF-8 -*-
# by ZhiQiang Zhao
# Email:zhiqiangzhao@nuaa.edu.cn
print('''A CODE TO GENERATE LAMMPS DATA''')
import numpy as np
import math
from input import *
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