软件包：libxc5（4.2.3-3）

[ 源代码： libxc  ]

Library of Exchange-Correlation Functionals

LibXC is a library of exchange-correlation (XC) functionals for density-functional theory (DFT). The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by other codes. Supported XC functionals include:

 * Local Density Approximation (LDA) functionals including Slater exchange,
   and VWN, Perdew-Zunger or PADE correlation.
 * Generalized Gradient Approximation (GGA) XC functionals including PBE,
   PW91, BLYP, HCTH93, HCTH120, HCTH147, HCTH407, as well as B88 exchange and
   LYP or P86 correlation.
 * Hybrid XC functionals including B3LYP, PBE0, B97, X3LYP, BHANDH, HSE03
   and HSE06.
 * Meta-GGA XC functionals including TPSS, M05 and M06.

标签: 角色: 共用函数库

其他与 libxc5 有关的软件包

• dep: libc6 (>= 2.7)

  GNU C 语言运行库：共享库
  同时作为一个虚包由这些包填实： libc6-udeb

• dep: libgcc1 (>= 1:3.5)

  GCC 支持库

• dep: libgfortran5 (>= 8)

  Runtime library for GNU Fortran applications

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硬件架构	软件包大小	安装后大小	文件
armhf	2,073.6 kB	5,466.0 kB	[文件列表]