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paulatto 189db5755f A few more verbose error messages and a bit of cleanup.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4656 c92efa57-630b-4861-b058-cf58834340f0
2008-01-24 16:55:47 +00:00
CPV - BUG FIX, for norm-conserving pp with non local core corrections. 2008-01-12 14:32:28 +00:00
D3 Four missing objects prevented compilation of d3.x. Is it exponential? 2008-01-24 10:41:49 +00:00
Doc Credits updated 2008-01-17 22:18:05 +00:00
GIPAW - cleanup, poolreduce replaced by mp_sum(...,inter_pool_comm) 2008-01-23 17:27:20 +00:00
GUI Version number updated for the GUI as well 2006-07-07 08:17:48 +00:00
Gamma "error" moved from flib/ to Modules/, as suggested by Axel, into 2008-01-03 09:02:32 +00:00
Modules Some UPF pseudopotentials, generated with old versions of the atomic code, 2008-01-23 20:04:43 +00:00
PH - scatter/gather like subroutines that act on fft grids, 2008-01-08 09:19:31 +00:00
PP Missing object prevented linking of bands. 2008-01-24 10:23:24 +00:00
PW - BUG FIX, in initialization of parallel diagonalization, 2008-01-24 14:18:13 +00:00
PWCOND Two missing objects prevented compilation of pwcond. There are more of these! 2008-01-24 10:38:10 +00:00
VdW One last missing object. 2008-01-24 10:45:33 +00:00
atomic A few more verbose error messages and a bit of cleanup. 2008-01-24 16:55:47 +00:00
atomic_doc default which_augfun changed from AE to BESSEL for PAW, as using AE would produce 2008-01-14 08:46:26 +00:00
clib Support for Solaris PC with Sun compiler added 2008-01-16 15:23:43 +00:00
examples Unwanted commit reverted 2007-12-21 14:02:28 +00:00
flib "error" moved from flib/ to Modules/, as suggested by Axel, into 2008-01-03 09:02:32 +00:00
include Support for Solaris PC with Sun compiler added 2008-01-16 15:23:43 +00:00
install Support for Solaris PC with Sun compiler added 2008-01-16 15:23:43 +00:00
pseudo tests updated 2007-11-01 15:03:11 +00:00
pwtools - missing module 2008-01-05 19:26:34 +00:00
tests Oops, forgot to add the new error module 2008-01-03 10:09:09 +00:00
upftools - missing modules 2008-01-05 19:26:57 +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 "error" moved from flib/ to Modules/, as suggested by Axel, into 2008-01-03 09:02:32 +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 Support for Solaris PC with Sun compiler added 2008-01-16 15:23:43 +00:00
configure.ac Support for Solaris PC with Sun compiler added 2008-01-16 15:23:43 +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.