[Collab-qa-commits] r2620 - in packages-metadata: a e n

[Charles Plessy]

Author: plessy
Date: 2013-02-16 03:58:52 +0000 (Sat, 16 Feb 2013)
New Revision: 2620

Added:
   packages-metadata/a/aces3.upstream
   packages-metadata/e/espresso.upstream
   packages-metadata/n/nwchem.upstream
Log:
Daily automatic umegaya push

Added: packages-metadata/a/aces3.upstream
===================================================================
--- packages-metadata/a/aces3.upstream	                        (rev 0)
+++ packages-metadata/a/aces3.upstream	2013-02-16 03:58:52 UTC (rev 2620)
@@ -0,0 +1,10 @@
+Reference:
+  Author: V. Lotrich and N. Flocke and M. Ponton and A. Yau and A. Perera and E. Deumens and R. J. Bartlett
+  Title: "Parallel Implementation of Electronic Structure Energy, Gradient and Hessian Calculations"
+  Journal: J. Chem. Phys.
+  Year: 2008
+  Volume: 128
+  Pages: 194104
+  DOI: 10.1063/1.2920482
+  URL: http://jcp.aip.org/resource/1/jcpsa6/v128/i19/p194104_s1
+Registration: http://www.qtp.ufl.edu/ACES/register.html

Added: packages-metadata/e/espresso.upstream
===================================================================
--- packages-metadata/e/espresso.upstream	                        (rev 0)
+++ packages-metadata/e/espresso.upstream	2013-02-16 03:58:52 UTC (rev 2620)
@@ -0,0 +1,9 @@
+Reference:
+  Author: P. Giannozzi and S. Baroni and N. Bonini and M. Calandra and R. Car and C. Cavazzoni and D. Ceresoli and G. L. Chiarotti and M. Cococcioni and I. Dabo and A. Dal Corso and S. Fabris and G. Fratesi and S. de Gironcoli and R. Gebauer and U. Gerstmann and C. Gougoussis and A. Kokalj and M. Lazzeri and L. Martin-Samos and N. Marzari and F. Mauri and R. Mazzarello and S. Paolini and A. Pasquarello and L. Paulatto and C. Sbraccia and S. Scandolo and G. Sclauzero and A. P. Seitsonen and A. Smogunov and P. Umari and R. M. Wentzcovitch
+  Title: "QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials"
+  Journal: J. Phys. Condens. Matter
+  Year: 2009
+  Volume: 21
+  Pages: 395502
+  DOI: 10.1088/0953-8984/21/39/395502
+  URL: http://iopscience.iop.org/0953-8984/21/39/395502

Added: packages-metadata/n/nwchem.upstream
===================================================================
--- packages-metadata/n/nwchem.upstream	                        (rev 0)
+++ packages-metadata/n/nwchem.upstream	2013-02-16 03:58:52 UTC (rev 2620)
@@ -0,0 +1,10 @@
+Reference:
+  Author: "M. Valiev and E.J. Bylaska and N. Govind and K. Kowalski and T.P. Straatsma and H.J.J. van Dam and D. Wang and J. Nieplocha and E. Apra and T.L. Windus and W.A. de Jong
+  Title: "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations"
+  Journal: Comput. Phys. Commun.
+  Year: 2010
+  Volume: 181
+  Number: 9
+  Pages: 1477-1489
+  DOI: 10.1016/j.cpc.2010.04.018
+  URL: http://www.sciencedirect.com/science/article/pii/S0010465510001438