首页 DFT的matlab源代码-simple-dftd3:重新实施DFT-D3程序

DFT的matlab源代码-simple-dftd3:重新实施DFT-D3程序

上传者： 38687807 | 上传时间： 2023-02-03 17:11:58 | 文件大小： 359KB | 文件类型： ZIP
DFT的matlab源代码D3色散模型 dftd3简单直接替换。 该程序提供了DFT-D3色散校正的小型且易于使用的实现（请参阅和了解详细信息）。 它主要基于程序，并从中的实施中借用了一两个想法。 安装 conda包装 这个项目是为conda软件包管理器打包的，可以在conda-forge频道上找到。 要安装conda软件包管理器，我们建议安装程序。 如果conda-forge频道尚未启用，请使用以下命令将其添加到您的频道中 conda config --add channels conda-forge 启用conda-forge频道后，可以使用以下方法安装该项目： conda install simple-dftd3 可以使用以下命令列出平台上可用的所有版本： conda search simple-dftd3 --channel conda-forge 现在您可以使用s-dftd3 。 从源头建造 要从此存储库中的源代码构建该项目，您需要 支持Fortran 2008的Fortran编译器 版本0.53或更高版本 构建系统后端，即1.7版或更高版本 可选的依赖项是 BLAS（通过-

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