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degironc 4d3e329b8f add ACFDT directory in the list checked for dependencies
look for dependencies only if a directory exists


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7011 c92efa57-630b-4861-b058-cf58834340f0
2010-08-23 13:12:29 +00:00
CPV - bug fix for LSD simulation, 2010-08-20 15:21:29 +00:00
D3 Added a check that the q point mesh generated by phonon is compatible with 2010-08-22 22:35:36 +00:00
Doc Documentation updated 2010-08-18 15:14:13 +00:00
EE Final details 2010-05-07 07:55:14 +00:00
GIPAW One more "diropn" definition missing 2010-06-14 06:47:13 +00:00
GUI grrr #!@! 2010-05-12 10:14:24 +00:00
GWW Minor fixes for build process (N. Nemec) 2010-07-06 11:02:58 +00:00
Gamma Source "normalization" of Gamma phonon 2010-06-18 16:50:35 +00:00
Modules one variables used in acfdt added in control_flags 2010-08-20 17:27:12 +00:00
PH printout of smearing name 2010-08-23 13:11:10 +00:00
PP comment cleanup 2010-08-20 06:59:34 +00:00
PW recent variable smearing (associated to ngauss) needs to be set when reading data from restart file. 2010-08-23 12:22:12 +00:00
PWCOND run makedep on directories (N. Nemec) 2010-07-05 16:39:50 +00:00
PlotPhon Added a small script to clean the PlotPhon examples. 2010-05-07 09:29:18 +00:00
QHA Added QHA package - Courtesy of Eyvaz Isaev 2010-04-29 14:29:09 +00:00
TDDFPT Mixup in sign convention. Fixed. 2010-08-17 09:54:16 +00:00
VdW Source normalization for VdW 2010-06-18 16:54:19 +00:00
XSpectra diropn moved from PW/ into module io_files (where it belongs). davcio also 2010-06-13 11:29:12 +00:00
atomic Dependencies update. 2010-08-03 16:24:31 +00:00
atomic_doc Iron PAW dataset that, for some misterious reason, was not working anymore tenatively fixed. 2010-08-02 09:30:07 +00:00
clib clean-up of the md5_from_file routine 2010-08-19 15:30:58 +00:00
cptests CP tests updated. Please check! 2010-03-21 10:43:00 +00:00
dev-tools dev-tools/src-normal: simple python script to normalize Fortran 90 source code (N. Nemec) 2010-05-14 14:56:29 +00:00
doc-def Introduced a new input variable to disable the mode symmetry analysis in 2010-08-22 22:17:27 +00:00
examples Filenames changed to .xml in ph.x. 2010-07-09 07:32:07 +00:00
extlibs extlib Makefile updated for iotk...tar.gz and blas ...tar.gz 2010-04-27 13:36:40 +00:00
flib Unused routine removed 2010-08-16 07:35:27 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install add ACFDT directory in the list checked for dependencies 2010-08-23 13:12:29 +00:00
plugins distribution file re-added as binary. AF 2010-04-16 20:24:41 +00:00
pseudo Added the pseudopotentials for example36. 2010-05-23 11:58:59 +00:00
pwtools ev.x was printing pressures in KBar and pretending them to be GPa. Now 2010-08-18 09:48:49 +00:00
tests test updated to reflect new input 2010-03-27 12:51:01 +00:00
upftools Modified in such a way that it doesn't stop if there are additional lines 2010-08-17 20:49:15 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile add a (dummy) entry for acfdt.x 2010-08-19 13:40:32 +00:00
README More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
TODO More things to do 2010-08-18 14:40:24 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure configure wrapper doesn't choke any longer on variables containing spaces. 2010-06-18 17:24:05 +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.