quantum-espresso

History

giannozz 3ac7eed5cb Since I accidentally deleted data_structure_custom.f90, here is the rest of the EXX patch, that may or may not work (but cannot be any worse than before). The problem was in the definition of the reduced FFT grid (cutoff ecutfock) used by EXX: it must be the same for all pools. Not sure the way it is defined now it is completely correct, though. git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13728 c92efa57-630b-4861-b058-cf58834340f0		2017-08-19 13:06:13 +00:00
..
images	Added documentation for the monoclinic lattice (previous commit seems to have	2015-02-02 14:58:15 +00:00
pic	I don't think this file should be there	2011-06-16 16:02:46 +00:00
ChangeLog.cp	Misc updates to documentation	2012-01-28 21:12:47 +00:00
ChangeLog.old	Misc updates to documentation	2012-01-28 21:12:47 +00:00
ChangeLog.pw	Misc updates to documentation	2012-01-28 21:12:47 +00:00
Makefile	Final (?) set of changes to the build system, especially for Windows (Axel)	2013-11-07 21:06:06 +00:00
README	Added partial support to the use of k points label in the Brillouin zone.	2013-09-21 09:34:21 +00:00
brillouin_zones.tex	A problem with the reciprocal lattice vectors of the rhombohedral lattice	2017-03-17 18:03:34 +00:00
constraints_HOWTO.tex	Documentation updated	2010-02-13 11:52:02 +00:00
developer_man.tex	Getting ready for v6.1	2017-02-18 18:37:10 +00:00
html.sty	Addition of some preliminary documentation on how to add new tests to the test-suite.	2017-01-03 21:51:53 +00:00
plumed_quick_ref.tex	Some more additions to the developer manual; bad parenthesis fixed	2013-05-28 17:06:34 +00:00
qe-on-win7.jpg	Final (?) set of changes to the build system, especially for Windows (Axel)	2013-11-07 21:06:06 +00:00
quantum_espresso.pdf	Added item for a last-minute bug - still waiting for contributions to	2009-07-14 17:01:59 +00:00
quantum_espresso.png	User Guide is back...presently only the introduction, which was updated	2009-04-28 10:41:51 +00:00
release-notes	Since I accidentally deleted data_structure_custom.f90, here is the rest of	2017-08-19 13:06:13 +00:00
user_guide.tex	Removed references of stuff I do not maintain or develop anymore.	2017-07-22 14:33:19 +00:00

README

This directory contains the general Quantum ESPRESSO documentation.
Package-specific documentation is available in the Doc/ subdirectories
of each package, or in the web site http://www.quantum-espresso.org

The following files are always present in the repository:

release-notes      What is new in the current release + list of fixed bugs
                   (only those that were present in some official release)
user-guide.tex     User guide
developer-man.tex  Developers' manual
brillouin_zone.tex Pictures of the labels defined inside the Brillouin zones.
plumed_quick_ref.tex 
                   An introduction to the usage of PLUMED with QE
constraints_HOWTO.tex
                   Documentation for constraints
ChangeLog.old      ChangeLog for the Quantum-ESPRESSO suite after aug. 2004
                   NO LONGER UPDATED
ChangeLog.pw       ChangeLog before aug 2004 for PWscf
ChangeLog.cp       ChangeLog before aug 2004 for CP

Printable versions of the *tex files are present in the released version:

user-guide.pdf
developer-man.pdf
plumed_quick_ref.pdf  
brillouin_zone.pdf

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.