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ccavazzoni a6ad3dbf49 - bug fix, there was an issues in the use of both Task Group and OpenMP.
Now OpenMP is disabled in scatter routine, but no real inpact on performance is expected.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10876 c92efa57-630b-4861-b058-cf58834340f0
2014-04-14 05:51:59 +00:00
COUPLE Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
CPV Updates to version number in preparation of next release 2014-04-09 08:41:02 +00:00
Doc Updates to version number in preparation of next release 2014-04-09 08:41:02 +00:00
GUI Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
GWW Some fix for serial no-MPI compilation. 2014-04-09 13:47:11 +00:00
Modules - bug fix, there was an issues in the use of both Task Group and OpenMP. 2014-04-14 05:51:59 +00:00
NEB Updates to version number in preparation of next release 2014-04-09 08:41:02 +00:00
PHonon Minor update of phonon example15, mainly cleanup of the outdir directory. 2014-04-11 15:37:29 +00:00
PP Poor Man Wannier for DFT+U working again (no warranty) 2014-04-01 14:42:07 +00:00
PW Dangerous and useless broadcast on world_comm removed 2014-04-10 07:47:39 +00:00
PWCOND Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA QHA broken by format change 2014-04-09 11:14:35 +00:00
TDDFPT Files make.depend updated 2014-04-04 09:36:29 +00:00
VdW Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
XSpectra Files make.depend updated 2014-04-04 09:36:29 +00:00
archive Remove tabulators from iotk 2013-10-10 14:44:18 +00:00
atomic Small corrections. 2013-11-25 16:44:44 +00:00
clib Final (?) set of changes to the build system, especially for Windows (Axel) 2013-11-07 21:06:06 +00:00
dev-tools This should be removed 2012-06-20 09:15:22 +00:00
flib First attempt to include new functionals contributed by Ikutaro Hamada. 2014-04-02 16:21:34 +00:00
include CRAY compiler now supported. 2013-03-28 16:57:44 +00:00
install Updates to version number in preparation of next release 2014-04-09 08:41:02 +00:00
pseudo Support for ballistic transport with DFT+U using pseudopotential projectors added to PWcond. 2012-10-24 09:41:28 +00:00
upftools Update for the vandeilt conversion tools with the 2013-11-08 11:01:03 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile deleted Environ related lines 2014-02-25 10:44:49 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Branch espresso-datafile merged back into trunk 2014-02-05 21:37:36 +00:00
configure The correct working version is r6851, not r6815. My bad. 2012-07-19 13:10:58 +00:00
environment_variables mp_global replaced with more apropriate modules in Modules/ 2013-10-13 13:36:46 +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 IOM-DEMOCRITOS National Simulation Center 
of the Italian CNR (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 general documentation in directory Doc/, 
package-specific documentation in */Doc/, and the web site
http://www.quantum-espresso.org/

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.