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giannozz b73fdafaa1 Error in previous commit fixed
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4490 c92efa57-630b-4861-b058-cf58834340f0
2007-12-03 16:11:32 +00:00
CPV Fixed yesterday's compilation problem: guess.f90 removed, para_dgemm 2007-11-22 15:14:36 +00:00
D3 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
Doc Documentation updated (moved, removed,...) 2007-11-29 16:45:11 +00:00
GIPAW Small changes after scf_type. (D.C.) 2007-11-26 11:29:18 +00:00
GUI Version number updated for the GUI as well 2006-07-07 08:17:48 +00:00
Gamma Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
Modules Small change to continue using GIPAW reconstructions. (D.C.) 2007-11-26 13:24:42 +00:00
PH single-q phonon calculation re-added (untested) 2007-12-03 08:40:15 +00:00
PP Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
PW Error in previous commit fixed 2007-12-03 16:11:32 +00:00
PWCOND Variable 'time_reversal' added. It contains information that was already 2007-11-29 15:39:29 +00:00
VdW Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
atomic Improvements on yesterday commit. 2007-11-23 17:35:15 +00:00
atomic_doc Pseudo_library update. 2007-11-29 15:42:11 +00:00
clib Yet another attempt towards a working memory report - not sure it works 2007-07-09 17:02:35 +00:00
examples GIPAW example updated. (D.C.) 2007-11-26 13:23:02 +00:00
flib Fixes: ld1 test of upf types was not working anymore (same as reason as CP). 2007-11-21 10:39:48 +00:00
include gfortran hacks - not nice but not too invasive either 2007-11-20 17:44:41 +00:00
install Updated TODO lits - please have a look 2007-11-26 13:52:11 +00:00
pseudo tests updated 2007-11-01 15:03:11 +00:00
pwtools - new file mp_base.f90 containing mpi wrapper for block communications, 2007-11-17 14:32:10 +00:00
tests restored previous version 2007-11-12 17:32:18 +00:00
upftools - new file mp_base.f90 containing mpi wrapper for block communications, 2007-11-17 14:32:10 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Makefile update. make tar and make upf were not working. 2007-09-03 06:28:49 +00:00
README Doc + configure update 2007-11-21 15:49:25 +00:00
TODO Updated TODO lits - please have a look 2007-11-26 13:52:11 +00:00
callhtml.pl added new perl scripts to compute calling tree [Gerardo] 2005-05-24 11:04:43 +00:00
calltree.pl added new perl scripts to compute calling tree [Gerardo] 2005-05-24 11:04:43 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
config.guess More minor tweaking: obsolete or useless variables removed, 2006-09-21 20:07:55 +00:00
config.sub added autoconf-based configure (file "configure.new") and related files 2003-11-13 13:35:10 +00:00
configure Doc + configure update 2007-11-21 15:49:25 +00:00
configure.ac Doc + configure update 2007-11-21 15:49:25 +00:00
configure.msg.in The check for dependencies must be done after fft_defs.h is written 2006-09-21 15:35:25 +00:00
cvs2cl.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
ifcmods.sh More miscellanous cleanup from Axel: 2006-12-12 11:02:09 +00:00
includedep.sh More miscellanous cleanup from Axel: 2006-12-12 11:02:09 +00:00
install-sh added autoconf-based configure (file "configure.new") and related files 2003-11-13 13:35:10 +00:00
make.sys.in Updated TODO lits - please have a look 2007-11-26 13:52:11 +00:00
makedeps.sh Minor updates 2007-09-03 13:13:43 +00:00
moduledep.sh More miscellanous cleanup from Axel: 2006-12-12 11:02:09 +00:00
namedep.sh More miscellanous cleanup from Axel: 2006-12-12 11:02:09 +00:00
release.sh More miscellanous cleanup from Axel: 2006-12-12 11:02:09 +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.