quantum-espresso

History

T. Thonhauser 036ec687f9 Calculate vdW kernel on the fly: fifth commit This is the final commit for the vdW kernel on the fly recoding. The new routines have been extensively tested and no differences were found when compared to qe-6.4.1 output. In this commit, we have updated the reference files for example16 of the PHonon code. Finally, a short note describing this work was put into Doc/release-notes. This work was performed by T. Thonhauser and is supported by NSF Grant No. 1712425.		2019-09-25 10:21:03 -04:00
..
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	A few more changes so that "make gui" creates a functional PWgui.	2019-03-01 23:44:12 +01:00
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	Documentation update	2019-03-17 10:19:17 +01:00
constraints_HOWTO.tex	Documentation updated	2010-02-13 11:52:02 +00:00
developer_man.tex	Calculate vdW kernel on the fly: fourth commit	2019-09-23 14:50:52 -04:00
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	fixed weird symbol in Doc/plumed_quick_ref.tex that prevented 'make doc' from working	2018-06-15 23:18:36 +02:00
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
quote.tex	More documentation updates: misspells, acknowledgents, new reference added	2017-10-28 13:26:03 +00:00
release-notes	Calculate vdW kernel on the fly: fifth commit	2019-09-25 10:21:03 -04:00
user_guide.tex	Fix user_guide fortran-2003 to fortran2003	2019-08-20 11:31:02 -05:00

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.