Panda_1875的博客

1.程序# 1 eV/mol = 1.6021766208×10^-19 J# 1 J*6.02214076×10^23 = J/mol# 1KJ/mol = 0.2389029576186153 Kcal/molC= 1.6021766208*6.02214076*10*0.2389029576186153file_name_read = "Cu_u3.eam"file_name_write = "/home/zxy/Documents/lammps/eam_test/Cu_u3_rea

1. 概述pyplot是替代matlab的一个很好的选择，不过默认的曲线绘图不够美观，这里对一些细节参数进行了修改，以供各位参考。2. 绘图效果对比修改前（右图）与修改后（左图）对比 注：图中曲线数据来源是对文献Hu Chengzhi, Tang Dawei, Lv Jizu, et al. Molecular dynamics simulation of frictional properties of Couette flow with striped superhyd

1. 程序及结果1.1 程序# -*- coding:utf-8 -*-import reimport numpy as npimport matplotlib.pyplot as pltfile_name= "log.lammps" # log 文件名jump_step= 20 # 需要跳过的step数，主要用于忽略势能最小化或弛豫产生的输出数据max_lines= 1