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代码的目的是为了把xxx.lammps文件中的速度进行变换
提高:使用列表中元素的数目来对特征行进行匹配
#!/usr/bin/python # -*- coding: UTF-8 -*- #by Zhiqiang-Zhao in NUAA #Email:ZhiqiangZhao@nuaa.edu.cn #import module ! import os import fileinput as fi import numpy as np #specify input and outputfile ! in_file= '0.2.2pt.lammps' out1_file='0.2.2pt.lammps.out' #specify particular headline h_1='ITEM:' #read file ! file=fi.input(in_file,inplace=False,bufsize=1000) data=open(out1_file,'w') with file as f1,data as da: for line in f1: line=line.split() if h_1 in line: da.writelines(str(x+' ') for x in line) da.writelines('\n') elif len(line)==1: da.writelines(str(x+' ') for x in line) da.writelines('\n') elif len(line)==2: da.writelines(str(x+' ') for x in line) da.writelines('\n') else: vx=float(line[5])*0.001 vy=float(line[6])*0.001 vz=float(line[7])*0.001 da.writelines(str(x+' ') for x in line[0:5]) da.writelines(str(vx)+' '+str(vy)+' '+str(vz)+'\n')
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