Bug#640664: ITP: libpspio -- Library to read and write pseudopotentials

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libpspio Version : 1.0.0 Upstream Author : Micael Oliveira * URL : http://www.tddft.org/trac/libpspio/ * License : LGPL Programming Lang: C

Bug#602126: ITP: python-ase -- Atomic Simulation Environment

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: python-ase Version : 3.4.1 Upstream Author : Ask Hjorth Larsen * URL : https://wiki.fysik.dtu.dk/ase/ * License : GPL, LGPL Programming

Bug#602113: ITP: spglib -- Crystal symmetry finder library

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: spglib Version : 1.0 Upstream Author : Atsushi Togo * URL : http://sourceforge.net/projects/spglib/ * License : BSD Programming Lang: C

Bug#602111: ITP: octopus -- Real-space TDDFT-based electronic-structure code

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: octopus Version : 3.2.0 Upstream Author : Miguel Marques * URL : http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page * License

Bug#602110: ITP: libxc -- Library of DFT exchange-correlation functionals

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libxc Version : 1.0 Upstream Author : Miguel Marques * URL : http://www.tddft.org/programs/octopus/wiki/index.php/Libxc * License : LGPL

Bug#602104: ITP: libnbc -- Non-Blocking MPI Collective Operations

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libnbc Version : 1.0.1 Upstream Author : Torsten Hoefler * URL : http://www.unixer.de/research/nbcoll/libnbc/ * License : BSD Programming

Bug#602100: ITP: libfox95 -- A Fortran library for XML

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: libfox95 Version : 4.1.0 Upstream Author : Andrew Walker * URL : http://www1.gly.bris.ac.uk/~walker/FoX/ * License : BSD-like Programming

Bug#602097: ITP: exciting -- All-electron full-potential electronic-structure code

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: exciting Version : 1.0 Upstream Author : Claudia Ambrosch-Draxl * URL : http://exciting-code.org/ * License : GPL Programming Lang: Fortran

Bug#602096: ITP: bigdft -- Wavelet-based electronic-structure calculations

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: bigdft Version : 1.4 Upstream Author : Damien Caliste * URL : http://inac.cea.fr/L_Sim/BigDFT/ * License : GPL Programming Lang: C, Fortran

Bug#602093: ITP: atompaw -- PAW atomic dataset generator

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: atompaw Version : 3.0 Upstream Author : Marc Torrent * URL : http://www.wfu.edu/~natalie/papers/pwpaw/man.html * License : GPL Programming

Bug#602092: ITP: ape -- Atomic pseudopotential generator

Package: wnpp Severity: wishlist Owner: Yann Pouillon -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 * Package name: ape Version : 1.1 Upstream Author : Micael Oliveira * URL : http://www.tddft.org/programs/APE/ * License : GPL Programming Lang: C, Fortran

Bug#578829: ITP: wannier90 -- Maximally Localized Wannier Functions

Package: wnpp Severity: wishlist Owner: Yann Pouillon * Package name: wannier90 Version : 1.2 Upstream Author : Arash Mostofi * URL : http://www.wannier.org/ * License : GPL Programming Lang: Fortran 90 Description : Maximally Localized Wannier