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paulatto 1105d794cc Fix: do not compile stuff that is not there yet
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8632 c92efa57-630b-4861-b058-cf58834340f0
2012-02-13 16:02:56 +00:00
CPV natomwfc is integer, not real. Completely harmless until you try 2012-02-12 20:48:13 +00:00
Doc General user guide almost ready 2012-02-13 11:36:34 +00:00
GUI adding support for ibrav=-5 and -12 2012-02-03 07:41:32 +00:00
GWW seqopn moved to Modules/io_files.f90 not only to keep company to diropn but also to have an explicit interface. This is necessary to introduce an optional argument to specify the directory (as it had been done for davcio some time ago). This is also necessary for the d3 code, but can also help a finer grained distribution of temporary files. 2012-02-13 15:12:29 +00:00
Modules Debug line slipped in 2012-02-13 15:31:35 +00:00
NEB seqopn moved to Modules/io_files.f90 not only to keep company to diropn but also to have an explicit interface. This is necessary to introduce an optional argument to specify the directory (as it had been done for davcio some time ago). This is also necessary for the d3 code, but can also help a finer grained distribution of temporary files. 2012-02-13 15:12:29 +00:00
PHonon Fix: do not compile stuff that is not there yet 2012-02-13 16:02:56 +00:00
PP seqopn moved to Modules/io_files.f90 not only to keep company to diropn but also to have an explicit interface. This is necessary to introduce an optional argument to specify the directory (as it had been done for davcio some time ago). This is also necessary for the d3 code, but can also help a finer grained distribution of temporary files. 2012-02-13 15:12:29 +00:00
PW removed 2012-02-13 15:12:56 +00:00
PWCOND Very minor corrections (misspells etc) 2012-02-10 13:19:37 +00:00
PlotPhon Small bug (courtesy of Huiqun Zhou) 2010-10-18 13:25:32 +00:00
QHA Added missing quotes 2011-10-18 14:09:19 +00:00
TDDFPT No reason to have both __PARA and __MPI preprocessing options: they have the same meaning. __MPI is more explicit, so I am keeping it 2012-02-02 22:12:26 +00:00
VdW I've modified h_psiq in order to accept one more argument (the igkq mapping) and get rid of those if/then conditions. 2012-02-13 15:06:05 +00:00
XSpectra I've modified h_psiq in order to accept one more argument (the igkq mapping) and get rid of those if/then conditions. 2012-02-13 15:06:05 +00:00
archive extlibs deleted moved to archive and main install 2012-01-03 11:33:44 +00:00
atomic Very minor corrections (misspells etc) 2012-02-10 13:19:37 +00:00
clib Apparently the t_mode c structure is not so trivial to use, removed the possobility to specify an umask in mkdir and removed the interface to chmod 2012-02-06 15:03:21 +00:00
dev-tools adding bands.x and dos.x modules to pwgui 2012-01-23 11:13:22 +00:00
flib Safe lower bound for string check, or it may crash in phonon (phq_readin, line 488) if fildyn is too short 2012-02-09 11:30:40 +00:00
include Removed EXX preprocessing option: now the code will perform EXX 2012-02-01 21:07:04 +00:00
install Documentation pdates after removal of -DEXX 2012-02-01 21:37:29 +00:00
pseudo Backward-compatibility with old PP format solved hopefully for good. 2011-06-25 14:55:05 +00:00
upftools Documentation (sort of) on what the virtual.x does or is supposed to do 2012-01-10 17:33:25 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Minor updates 2012-01-27 16:03:03 +00:00
README Cleanup 2012-01-20 12:32:15 +00:00
TODO Very minor corrections (misspells etc) 2012-02-10 13:19:37 +00:00
configure configure wrapper doesn't choke any longer on variables containing spaces. 2010-06-18 17:24:05 +00:00
environment_variables examples deleted, environment_variables moved to main dir, all run_examples changed 2012-02-08 19:11:33 +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.