PoreBlazer:PoreBlazer(v4.0)源代码,示例以及为CSD MOF中的12,000个结构的子集计算的多Kong材料的几何特性-Material source code

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毛Kong西装外套 PoreBlazer(v4.0)源代码,示例以及为CSD MOF中的12,000个结构的子集计算的多Kong材料的几何特性。 1.内容 文件夹: src 该文件夹包含完整的源代码,预编译的可执行文件以及相关的README_PB_v4.0.txt文件,以及有关如何编译和使用代码的说明(另请参见下面的“操作方法”)。 文件夹:数据 包含MOF及其属性的数据库,MOFsubsetPB4.dat,MOFsubsetZeo ++。dat,MOFsubsetRASPA.dat的文件 包含三个案例研究材料HKUST-1,IRMOF-1,ZIF-8的完整设置示例的Zip文件: PB4_vs_Zeo ++ _ vs_RASPA.zip 包含大量案例研究(MOFS,沸石)的Zip文件: case_studies.zip 2.如何 要下载发行版,请克隆PoreBlazer存储库: g

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