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spigafi b406ac8632 Refresh all reference outputs for PW and CP
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12349 c92efa57-630b-4861-b058-cf58834340f0
2016-04-24 20:41:57 +00:00
COUPLE Obsolete reference to deleted variable removed 2015-12-21 12:50:36 +00:00
CPV Makefile glitches, courtesy of David Strubbe, MIT 2016-04-22 20:38:05 +00:00
Doc Minor changes 2016-04-24 17:10:11 +00:00
EPW Change in the output format of the superconducting gap on the FS. 2016-04-21 17:39:23 +00:00
FFTXlib Support for Hardware Performance Monitor for SP machines is obsolete 2016-04-22 06:30:45 +00:00
GUI version update 2015-06-19 19:22:59 +00:00
GWW "call flush" and "flush" are not the same. Only the latter syntax (which is 2016-04-22 15:17:36 +00:00
LAXlib - adding timing for matrix multiplication, 2016-02-14 22:20:11 +00:00
LR_Modules More small fixes for NAG compiler, by Samuel Ponce' 2016-04-14 17:39:49 +00:00
Modules Getting ready for v5.4.0 release 2016-04-24 18:25:19 +00:00
NEB Missing dependency maybe the reason why parallel make and buildbot don't work 2016-01-27 10:02:48 +00:00
PHonon Bug in Raman fixed, misc documentation updates 2016-04-22 12:51:16 +00:00
PP Missing & at the beginning of a continued line (IBM compiler doesn't like) 2016-04-22 14:21:03 +00:00
PW Bug in Raman fixed, misc documentation updates 2016-04-22 12:51:16 +00:00
PWCOND Minor clarification 2016-04-12 20:21:52 +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 Updated the example for TDDFPT (Davidson) + Environ for the CH4 molecule. 2016-04-22 17:35:51 +00:00
VdW Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module. 2016-02-20 17:16:16 +00:00
XSpectra Removal of unused "iunigk" variable 2016-02-09 15:08:11 +00:00
archive qe patch for plumed-1.3 updated to qe-5.2. Removal of veryold PLUMED-latest.tar.gz. 2015-06-11 13:51:00 +00:00
atomic Since we are in the process of moving stuff around, I think it is a good 2016-01-26 12:51:02 +00:00
clib - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
dev-tools Script updated to include EPW; PlotPhon and QHA ot in PHOnon 2016-03-24 20:57:18 +00:00
include Updates 2016-04-24 17:29:34 +00:00
install Getting ready for v5.4.0 release 2016-04-24 18:25:19 +00:00
pseudo Added needed PP - it would be preferrable to use either an already available 2016-04-21 18:41:14 +00:00
test-suite Refresh all reference outputs for PW and CP 2016-04-24 20:41:57 +00:00
upftools Makefile glitches, courtesy of David Strubbe, MIT 2016-04-22 20:38:05 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile "make clean" should now clean LR_Modules as well 2016-02-28 16:45:02 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Minor updates to documentation 2016-04-20 13:33:31 +00:00
configure Added make distclean: revert distribution to the original status 2016-01-08 10:51:21 +00:00
environment_variables Reverted to original changes adopter to simplify local testing 2015-09-16 10:34:26 +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.