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molecular-dynamics-simulation's Introduction

《分子动力学模拟:原理与实现》源代码

对读者的要求:

  • 本科数学水平:
    • 微积分,包括单元微积分和多元微积分
    • 线性代数
    • 初等的概率论
  • 本科物理水平:
    • 经典力学,也叫做理论力学
    • 热力学与统计力学
    • 初等的电动力学
    • 初等的量子力学
  • 编程水平:
    • 熟悉 Windows 或者 Linux 中的命令行操作
    • 熟悉 C++ 编程。
    • 熟悉 Scilab (https://www.scilab.org/) 编程。

书稿与源码

  • 书稿将在我的个人主页 (https://gpumd.zheyongfan.org/index.php/Molecular_Dynamics_Simulaiton) 发布与更新。欢迎读者指正。
  • 所有源代码将在本 Github 仓库发布与更新。欢迎读者报告 bug。
  • 目前,书稿的内容还很混乱,代码和书稿的联系也不甚明朗。
  • 等部分书稿和代码确定下来,我会告知读者。
    • 目前,前4章书稿已经修订完毕,读者可以开始阅读了。欢迎指正。

讨论群

  • 读者可加入作者的 QQ 群: 887975816
  • 该群主要讨论分子动力学模拟中的算法和作者开发的 GPUMD 程序 (https://gpumd.zheyongfan.org) 的使用。

molecular-dynamics-simulation's People

Contributors

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