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paulatto f4e6818df3 Tiny changes by Arash Mostofi
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13205 c92efa57-630b-4861-b058-cf58834340f0
2016-12-21 15:35:35 +00:00
COUPLE make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
CPV Cleanup, removal of commented sections 2016-11-23 08:08:44 +00:00
Doc Minor documentation updates 2016-12-15 13:02:04 +00:00
EPW Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
FFTXlib Module "iso_c_binding" removed by mistake in recent commit was neeeded 2016-11-30 21:21:43 +00:00
GUI bug fix: fatal typo for older versions of tcllib 2016-10-10 08:50:05 +00:00
GWW Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
LAXlib QE made ready to use MPI module instead of mpif.h include file. See the three 2016-11-25 14:11:28 +00:00
LR_Modules Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
Modules I've added a line to print out the crystal density in g/cm^3, the hope is that may help people realize when they do a mistake in the input that results in too small or too large unit cells 2016-12-14 14:38:00 +00:00
NEB First set of changes needed to make new schema the default. Currently NEB will 2016-11-14 10:57:54 +00:00
PHonon Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
PP Tiny changes by Arash Mostofi 2016-12-21 15:35:35 +00:00
PW Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
PWCOND make.depend updated 2016-11-14 17:22:37 +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 Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
XSpectra Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
archive ELPA as external library, step 1 (ScaLAPACK continues to be mandatory). Added 2016-09-29 22:13:41 +00:00
atomic Documentation updated 2016-11-17 07:00:30 +00:00
clib Forgotten include file, has been moved to FFTXlib/ 2016-09-23 20:30:11 +00:00
dev-tools (semi)automated release script/procedure reflecting 6.0 2016-10-04 17:37:33 +00:00
include Cleanup of __GFORTRAN and __INTEL #ifdefs, replaced by compiler-enabled 2016-10-05 17:48:02 +00:00
install D3Q updated to latest version. 2016-11-28 10:25:41 +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 Temporary directory for test-suite is the same as for examples: tempdir/ in 2016-11-23 09:06:21 +00:00
upftools Cleanup of duplicated code 2016-12-06 21:14:50 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Fix for Debian bug report #841096 2016-11-14 14:20:19 +00:00
README Obsolete quote of Democritos as promoter of Quantum ESPRESSO 2016-06-17 12:54:16 +00:00
TODO make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
configure make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +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).

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.