[ buster ]
[ bullseye ]
[ 源代码： libxc ]
软件包：libxc5（4.2.3-3）
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.
其他与 libxc5 有关的软件包
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- dep: libc6 (>= 2.17) [arm64]
- 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: libc6 (>= 2.7) [除 arm64]
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- dep: libgcc1 (>= 1:3.0) [除 armhf]
- GCC 支持库
- dep: libgcc1 (>= 1:3.5) [armhf]
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- dep: libgfortran5 (>= 8)
- Runtime library for GNU Fortran applications
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- dep: libquadmath0 (>= 4.6) [amd64, i386]
- GCC Quad-Precision Math Library