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obm d47ad15d98 This is the merge with the main qe tree
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@5942 c92efa57-630b-4861-b058-cf58834340f0
2009-09-18 10:47:47 +00:00
CPV - obsolete subroutine removed 2009-09-12 09:13:40 +00:00
D3 first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
Doc Nonlinear core corrections in Gamma-only phonon code fixed 2009-09-18 09:42:36 +00:00
EE first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
GIPAW In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
GUI "make doc" updated: user_guide.pdf no longer there 2009-09-07 14:59:03 +00:00
GWW In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
Gamma Nonlinear core corrections in Gamma-only phonon code fixed 2009-09-18 09:42:36 +00:00
Modules input management of the assume_isolated case modified. 2009-09-15 20:29:07 +00:00
Multigrid Unused routine removed 2009-03-25 08:53:12 +00:00
PH gfortran workaround for deallocation of newly introduced becp derived 2009-09-18 09:46:38 +00:00
PP In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
PW The last "becp" changes were missing in just one file 2009-09-16 20:08:13 +00:00
PWCOND In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
TDDFPT This is the merge with the main qe tree 2009-09-18 10:47:47 +00:00
VdW first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
XSpectra Misplaced routines re-placed, Makefiles updated: 2009-09-04 13:40:13 +00:00
atomic first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
atomic_doc Added NLCC to N pseudopotential. 2009-03-25 15:26:05 +00:00
clib More of the same... 2009-08-01 20:55:14 +00:00
cptests - paramagnetic O2 molecule test added 2009-09-06 17:27:25 +00:00
dev-tools Packaging updated and simplified a little bit - now "make doc" makes pdf 2009-07-22 13:32:58 +00:00
doc-def input management of the assume_isolated case modified. 2009-09-15 20:29:07 +00:00
examples input management of the assume_isolated case modified. 2009-09-15 20:29:07 +00:00
flib first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
include Removed SHMEM, Makefiles and make.depend updated; lenght => length ; misc 2009-08-04 14:36:12 +00:00
install add module coulomb_vcut for EXX div (G. Bussi, A. Ferretti, L. Martin-S) 2009-09-13 16:48:24 +00:00
plugins add module coulomb_vcut for EXX div (G. Bussi, A. Ferretti, L. Martin-S) 2009-09-13 16:48:24 +00:00
pseudo first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
pwtools Small change to the installation mechanism: the list of locations for 2009-07-22 17:18:42 +00:00
tests input management of the assume_isolated case modified. 2009-09-15 20:29:07 +00:00
upftools Removed unclear and likely incorrect warning 2009-09-02 13:06:09 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile add module coulomb_vcut for EXX div (G. Bussi, A. Ferretti, L. Martin-S) 2009-09-13 16:48:24 +00:00
README Doc + configure update 2007-11-21 15:49:25 +00:00
TODO Better (or less bad) configure support for openmp 2009-07-29 15:05:15 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure add configure script that run the real configure in dir install. Paths 2009-09-11 13:28:47 +00:00
cvs2cl.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00

README

This is the distribution of the Quantum-ESPRESSO suite of codes (ESPRESSO: 
opEn-Source Package for Research in Electronic Structure, Simulation, 
and Optimization), promoted by the DEMOCRITOS National Simulation Center 
of the Italian INFM (http://www.democritos.it). 

Quick installation instructions for the impatient:
   ./configure [options]
   make all
("make" alone prints a list of acceptable targets). Binaries go in bin/.
For more information, see the documentation contained in directory Doc/,
consult the web site http://www.quantum-espresso.org/ and in particular
the Wiki page http://www.quantum-espresso.org/wiki/index.php/Main_Page .

All the material included in this distribution is free software;
you can redistribute it and/or modify it under the terms of the GNU
General Public License as published by the Free Software Foundation;
either version 2 of the License, or (at your option) any later version.

These programs are distributed in the hope that they will be useful, but
WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY
or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.

You should have received a copy of the GNU General Public License along
with this program; if not, write to the Free Software Foundation, Inc.,
675 Mass Ave, Cambridge, MA 02139, USA.