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giannozz f2b094c7dc Module cell_nose separated from cell_base and moved to CPV/
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@7477 c92efa57-630b-4861-b058-cf58834340f0
2011-02-04 11:16:35 +00:00
CPV Module cell_nose separated from cell_base and moved to CPV/ 2011-02-04 11:16:35 +00:00
D3 make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
Doc Release-notes updated 2011-01-22 14:37:34 +00:00
GIPAW make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
GUI grrr #!@! 2010-05-12 10:14:24 +00:00
GWW Minor bugs detected and corrected. PU 2011-01-18 15:07:47 +00:00
Gamma make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
Modules Module cell_nose separated from cell_base and moved to CPV/ 2011-02-04 11:16:35 +00:00
NEB change if(lfound_input_images==.false.) with if(.not. ...). Working 2011-02-01 11:11:54 +00:00
PH Compilation error after yesterday's commit 2011-02-01 07:08:10 +00:00
PP Compilation problem fixed 2011-01-25 08:16:38 +00:00
PW not properly itialized arrays q0, q0_drho, q0_dgradrho were producing NaN 2011-02-04 09:08:42 +00:00
PWCOND Variable ecutwfc moved from "gvect" to "wvfct" 2010-12-22 21:44:25 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Added QHA package - Courtesy of Eyvaz Isaev 2010-04-29 14:29:09 +00:00
TDDFPT Compilation problem after recent task group changes - check removed 2011-01-26 12:28:21 +00:00
VdW make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
XSpectra make.depend updated; fixed mpi initialization in (seldom-used) xctest.f90 2011-01-23 16:14:41 +00:00
archive missing mp_bcast in patch to plugin_forces for PW 2011-01-12 11:16:41 +00:00
atomic Some messages made more explicit, some unnecessary warnings removed 2011-01-19 08:29:24 +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 c_mkdir modified. Now returns value of -1 if he do not manage 2011-01-27 10:08:28 +00:00
cptests Reference outputs updated to reflect different PPs. The new outputs were 2011-02-02 09:33:05 +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 More variable harmonization: ig1,ig2,ig3 => mill 2010-12-05 13:07:09 +00:00
examples xc_vdW_DF modified so that it is possible to perform the density and potential 2011-02-02 15:27:05 +00:00
extlibs removed old iotk version 2010-12-17 11:10:00 +00:00
flib Minor cleanup. 2010-12-29 16:13:41 +00:00
include Cleanup of configure: removed several obsolete cases. Documentation 2010-03-17 17:07:05 +00:00
install Choose gfortran over g95 by default: gfortran is better maintained, produces 2011-01-17 12:59:52 +00:00
pseudo More removal of PP files from CVS. Only PPs left: PAWset, full-relativistic, 2011-01-22 20:16:09 +00:00
pwtools Startup routines mp_start and mp_env merged into one 2011-01-17 21:05:54 +00:00
tests Default for test: no parallel execution, or else the daily test will go bananas 2011-01-23 17:45:33 +00:00
upftools program interpolate.x reads a pseudopotential in the UPF format and 2010-11-13 23:36:46 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Obsolete eelib dependencies, and eelib themself, removed 2011-01-23 16:34:41 +00:00
README More instances of nonstandard forms for "Quantum ESPRESSO" 2010-01-18 13:46:16 +00:00
TODO Updated 2011-01-22 14:37:06 +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.