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Roy-Kid / extending-lammps-zh

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integrating machine learning potential model into Lammps #5

Closed XinjianOUYANG closed 1 year ago

XinjianOUYANG commented 1 year ago

你好，我最近在研究怎么实现lammps和机器学习势函数的c++接口，看了很多资料，也没有清楚的头绪。请问您有什么经验,指导或参考教程吗？

Roy-Kid commented 1 year ago

你好，如果你需要写lammps的势函数接口，那这本书里的内容就够用了。其他的设计可以参考deepmd-kit等软件的设计。

XinjianOUYANG commented 1 year ago

好的，谢谢！

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From: Jichen Li @.> Sent: Monday, May 15, 2023 3:56:20 PM To: Roy-Kid/extending-lammps-zh @.> Cc: Xinjian Ouyang (Student at CentraleSupelec) @.>; Author @.> Subject: Re: [Roy-Kid/extending-lammps-zh] integrating machine learning potential model into Lammps (Issue #5)

你好，如果你需要写lammps的势函数接口，那这本书里的内容就够用了。其他的设计可以参考deepmd-kit等软件的设计。

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