Package: wnpp Severity: wishlist Owner: Yann Pouillon <yann.pouil...@gmail.com>
-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 * Package name : libxc Version : 1.0 Upstream Author : Miguel Marques <marq...@tddft.org> * URL : http://www.tddft.org/programs/octopus/wiki/index.php/Libxc * License : LGPL Programming Lang: C, Fortran 90 Description : Library of DFT exchange-correlation functionals Libxc is a library of exchange-correlation functionals. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by all the ETSF codes and also other codes. .. In libxc you can find different types of functionals: LDA, GGA, hybrids, mGGA (experimental) and LCA (not working). This functionals depend on local information, in the sense that the value of the potential at a given point depends only on the values of the density - and the gradient of the density and the kinetic energy density, for the GGA and mGGA cases, or the vorticity for LCA - at a given point. .. As of today, more than 100 functionals are available for various kinds of electronic-structure calculations. This package will be part of the Debian Science nanoscale-physics metapackage. -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.10 (GNU/Linux) iQIcBAEBAgAGBQJMzvCPAAoJEIMRGgSH9UMpHIwP/3frFIbz8juOtysDkl9iCtxq 4pmUjJyox64jU51MdUoi9w4Pvq+bLxspqSsWh07ia1xz62M8mX6YtgI+1uN9Ytep pKkxhgC+yIvpshPLmBDDGSw+I8VMv1wHnI4NUfKHmFDf58UBnz9zKxvvUS31n5m0 s8YasMypk/NsRvIGrnuXFTKNYBGZ/o2Hj0dcg0xQrha0JohiQCu2CEnWqJb54xMo tvzR7+XMnrCyxYGO3kcGT706xtw75zxldxOaYVc0jkluaCcfWG6lywoAY8q5Hou6 MscMVb0X2Hri9a2oENifTCPmpfH2JRksA1yNIs81EzGhbGkReXQz94SnCDgwHRXx NR8mR9uP8CiXP6j4Hbmu+i8gCE3Ziq2e+4MeaK/+aK4CcmPMByzZs0NE/L+vcxW5 XrXVLC02DjfWCbdlfXFwaEpt+0jxK+D8M2TyRKmIJCNyYwlVDBvFevnvldQcTx/z t/YHJ5EONPiYYx1gBfcN4//as5nZJ5EsQkVV6xrLN+iAHSqsaKexwHwzvbBY+Bal YLPNmDPZmx1XzXA5khLAZ9NipJuFJpaXl3oBMYITp+jUHrRfwSoDBaTiWej4mShU l2C/TZ1cOVEi6z4Aco+OkyS3uAepsSxYxy+D+iiR3zuGrnBTHpvxkcxTtBvgYPuY syAKBZFDdhPQwp72s/T7 =oSk6 -----END PGP SIGNATURE----- -- To UNSUBSCRIBE, email to debian-devel-requ...@lists.debian.org with a subject of "unsubscribe". Trouble? Contact listmas...@lists.debian.org Archive: http://lists.debian.org/20101101165340.30327.18804.report...@altair