[ etiona ]
[ 源代码: libxc ]
软件包: libxc4 (3.0.0-1build1)
libxc4 的相关链接
Trisquel 的资源:
下载源码包 libxc:
维护者:
Original Maintainers:
- Debichem Team (Mail Archive)
- Michael Banck
外部的资源:
- 主页 [www.tddft.org]
相似软件包:
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 libxc4 有关的软件包
|
|
|
-
- dep: libc6 (>= 2.7)
- GNU C Library: Shared libraries
同时作为一个虚包由这些包填实: libc6-udeb
-
- dep: libgfortran4 (>= 7)
- Runtime library for GNU Fortran applications