[Blends-commit] r2508 - /projects/science/trunk/debian-science/tasks/nanoscale-physics

[pouillon-guest at users.alioth.debian.org]

Author: pouillon-guest
Date: Wed Dec  1 11:30:34 2010
New Revision: 2508

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=2508
Log:
Added GPAW to the nanoscale-physics task

Modified:
    projects/science/trunk/debian-science/tasks/nanoscale-physics

Modified: projects/science/trunk/debian-science/tasks/nanoscale-physics
URL: http://svn.debian.org/wsvn/blends/projects/science/trunk/debian-science/tasks/nanoscale-physics?rev=2508&op=diff
==============================================================================
--- projects/science/trunk/debian-science/tasks/nanoscale-physics (original)
+++ projects/science/trunk/debian-science/tasks/nanoscale-physics Wed Dec  1 11:30:34 2010
@@ -192,6 +192,22 @@
  We particularly focus on excited state properties, within the framework
  of time-dependent DFT (TDDFT) as well as within many-body perturbation
  theory (MBPT).
+
+Depends: gpaw
+Homepage: https://wiki.fysik.dtu.dk/gpaw/
+Responsible: Ask Hjorth Larsen <askhl at fysik.dtu.dk>
+License: GPL
+WNPP: 602748
+Published-Title: Real-space grid implementation of the projector augmented wave method
+Published-Authors: J. J. Mortensen, L. B. Hansen, K. W. Jacobsen
+Published-Year: 2005
+Published-In: Physical Review B, 71:035109
+Published-URL: http://prb.aps.org/abstract/PRB/v71/i3/e035109
+Published-DOI: 10.1103/PhysRevB.71.035109
+Pkg-Description: Real-space PAW-based electronic structure code
+ GPAW is a density-functional theory (DFT) Python code based on the 
+ projector-augmented wave (PAW) method. It uses real-space uniform grids 
+ and multigrid methods or atom-centered basis-functions.
 
 Depends: octopus
 Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Main_Page