leetcode题库-lammps-data-processing:针对开源模拟软件Lammps导出的数据文件,个人采用Python脚本进行数

上传者: 38704870 | 上传时间: 2021-08-19 20:22:02 | 文件大小: 9.77MB | 文件类型: ZIP
leetcode题库 为什么要数据处理? 对于开源分子动力学模拟软件Lammps导出的大数据量文件(单个数据文件上10G都是有可能的),是不太适合利用Excel或者Origin等常规软件来进行数据处理和绘图的。笔者从2020年正式学习Lammps时,就做了利用Python进行全流程(后处理+科研绘图)的尝试,也都取得了相关的论文成果,论文中除结构示意图外,数据图都是采用Python来进行的。 前期基础 博客 我的博客地址:,内容包含我的研究生科研记录、Java学习记录、计算机基础等内容,会长期更新自己的学习内容。 论文 论文1 原文链接: 审稿意见及回复: 仓库内容 本仓库分为两个文件夹:examples和python-scritps,examples主要是一些建模或者数据文件,python-scritps是一些个人常用的处理数据的脚本,专门针对examples中的数据文件做相关处理和数据图绘制。 脚本使用 笔者列出一些常见的可导出数据的Lammps命令,针对命令导出的数据文件,给出相应的脚本使用说明。 ave/chunk 针对ave/chunk导出的1d切分和2d切分的数据文件,可利

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