wiki/software_usage/cp2k/cp2k-e-f/ #174
giscus[bot]
bot
Replies: 2 comments 2 replies
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您好，十分感谢您的分享。能不能请教一下，cp2k有没有办法在inp文件里通过某个命令读取构型文件，而不是直接把构型参数写到inp文件中，就像vasp的poscar或者lammps的in文件那样 |
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2 replies
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可以使用 @include 宏，把构型写在一个单独的文件中再在主文件引用。更新版本的CP2K 也支持读取 xyz 文件，可以借助AI了解下具体用法。 |
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感谢分享 |
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您好，您的邮件已经收到（gzd）
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wiki/software_usage/cp2k/cp2k-e-f/
https://wiki.cheng-group.net/wiki/software_usage/cp2k/cp2k-e-f/
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