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Leonid Kahle 01f11169ed This resolves #127. The target temperature is now updated using the previous (target) temperature of the thermostat. 
This avoids the weird effect of reducing based on the instantaneous temperature.
In addition, it is now allowed for delta_T to be positive or negative, so that the option reduce_T can be used to increase or reduce the temperature.
I would suggest allowing for additional names (as in augment_T etc), but this should be a separate issue, and a separate commit.
Documentation (PW_INPUT.def) updated in this commit as well
 		2019-09-10 17:27:58 +01:00
..
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 Axis for case ibrav=-13 aligned to what is typically found in the literature 2019-09-10 16:31:31 +01:00
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 This resolves #127. The target temperature is now updated using the previous (target) temperature of the thermostat. 2019-09-10 17:27:58 +01:00
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.