套件：libxc9（5.2.3-1） [debports]
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.
其他與 libxc9 有關的套件
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- dep: libc6.1 (>= 2.35)
- GNU C 函式庫：共用函式庫
同時作為一個虛擬套件由這些套件填實： libc6.1-udeb
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- dep: libgfortran5 (>= 10)
- Runtime library for GNU Fortran applications