1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
|
Source: libxc
Section: science
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Michael Banck <mbanck@debian.org>
Build-Depends: cmake, debhelper (>> 9), dh-autoreconf, gfortran
Standards-Version: 3.9.5
Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc
Vcs-Browser: https://salsa.debian.org/debichem-team/libxc
Vcs-Git: https://salsa.debian.org/debichem-team/libxc.git
Package: libxc9
Architecture: any
Multi-Arch: same
Section: libs
Depends: ${misc:Depends}, ${shlibs:Depends}
Description: 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.
Package: libxc-dev
Architecture: any
Section: libdevel
Depends: libxc9 (= ${binary:Version}), ${misc:Depends}, ${shlibs:Depends}
Description: Library of Exchange-Correlation Functionals (development files)
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.
.
This package contains the static library, the C headers and the Fortran
modules necessary for developers.
|
