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kokalj 6e9e59a1e5 adding user_guide.html, which is a patched version of wiki's user-guide, Doc/user_guide.html, and a script for distiling it to simpler html.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4923 c92efa57-630b-4861-b058-cf58834340f0
2008-05-14 14:19:53 +00:00
CPV Bug corrected. 2008-05-07 15:18:07 +00:00
D3 Minor changes tothe qexml file format, by AF: in particular, added the 2008-04-18 12:29:55 +00:00
Doc Minor updates to documentation 2008-05-14 13:04:58 +00:00
GIPAW Initial message made more explicit (after a suggestion by Guido F.). 2008-04-21 14:25:39 +00:00
GUI adding user_guide.html, which is a patched version of wiki's user-guide, Doc/user_guide.html, and a script for distiling it to simpler html. 2008-05-14 14:19:53 +00:00
Gamma Minor changes tothe qexml file format, by AF: in particular, added the 2008-04-18 12:29:55 +00:00
Modules Last minute fix: precision of radial integrals kicked up a notch, 2008-05-13 12:20:15 +00:00
PH Cleanup: do not allocate unused variables. 2008-04-30 07:30:10 +00:00
PP Minor bug: atoms exactly at the boundary of the visualisation cell were 2008-05-14 12:44:06 +00:00
PW erfc should be defined external, consistently with the rest of the code 2008-05-13 16:21:48 +00:00
PWCOND Small bug fix: uninitialized printing variable. 2008-04-30 07:26:23 +00:00
VdW Minor changes tothe qexml file format, by AF: in particular, added the 2008-04-18 12:29:55 +00:00
atomic calculation on OEP was problematic for one-electron case 2008-05-09 15:55:01 +00:00
atomic_doc Removing files: 2008-05-08 19:10:41 +00:00
clib Support for Solaris PC with Sun compiler added 2008-01-16 15:23:43 +00:00
dev-tools adopting check_gui to change of *def location from Doc/ to doc-def/ 2008-05-13 13:31:02 +00:00
doc-def moving *.def and input_xx.xsf from Doc/ to a dedicated doc-def/ directory 2008-05-13 13:29:38 +00:00
examples Missing ' " ' 2008-05-02 13:04:53 +00:00
flib Miscellaneous changes (from Arash) for compatibility with W90: 2008-05-09 19:17:41 +00:00
include Support for Solaris PC with Sun compiler added 2008-01-16 15:23:43 +00:00
install configure updated with small changes for NEC (courtesy of Nathalie Vast) 2008-04-23 20:35:07 +00:00
pseudo On popular request: added the possibility to save all-electron and pseudo 2008-04-16 10:12:11 +00:00
pwtools changing output format for a0 from f6.2 to f7.3 2008-05-08 19:04:18 +00:00
tests Last minute fix: precision of radial integrals kicked up a notch, 2008-05-13 12:20:15 +00:00
upftools - pseudo_type/grid nullification still was giving problem (gfortran). 2008-04-27 08:58:55 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Miscellaneous changes (from Arash) for compatibility with W90: 2008-05-09 19:17:41 +00:00
README Doc + configure update 2007-11-21 15:49:25 +00:00
TODO Last minor fixes 2008-05-13 15:35:35 +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 configure updated with small changes for NEC (courtesy of Nathalie Vast) 2008-04-23 20:35:07 +00:00
configure.ac configure updated with small changes for NEC (courtesy of Nathalie Vast) 2008-04-23 20:35:07 +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 CP/PP interface fixed for the case of spin-polarized calculations 2008-04-08 10:53:25 +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

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.