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[Feature Request]【PaddlePaddle Hackathon 2】109、Run dipole,polarization/se_e3 on paddle+deepmd+lammps #1553

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TCChenlong opened this issue Mar 9, 2022 · 0 comments

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@TCChenlong
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TCChenlong commented Mar 9, 2022

Summary

This ISSUE is the task of PaddlePaddle Hackathon, pleasedipole,polarization/se_e3 on paddle+deepmd+lammps. For more information, please refer to the official website PaddlePaddle Hackathon 2 .

Detailed Description

(此 ISSUE 为 PaddlePaddle Hackathon 第二期活动的任务 ISSUE,更多详见 【PaddlePaddle Hackathon 第二期】任务总览

【任务内容】

  • 在paddle+deepmd+lammps上跑通dipole,polarization/se_e3,  hybrid的势函数模型,构建基于paddle的势函数模型,以水分子为例

  • 任务难度:困难

【提交的内容】

  • 设计方案,提交至 community/rfcs目录下

  • 一个 zip 文件,其中包含:

    • 一份显示结果、性能分析、简要概述流程的报告。

    •  代码文件、结果文件。

【技术要求】

  • 熟悉 Paddle 以及DeepMD之一,了解LAMMPS
  • 熟练掌握 C++ 、Python以及环境编译

【参考内容】

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