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timrov 01bf571bd4 The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules.
Further reunification of TDDFPT with the routines in LR_Modules can and should be done.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12183 c92efa57-630b-4861-b058-cf58834340f0
2016-02-28 15:47:13 +00:00
COUPLE Obsolete reference to deleted variable removed 2015-12-21 12:50:36 +00:00
CPV TDDFPT routines, which compute the response density, now use the original PH routines, which allows us to delete the duplicated parts of the code. Some documentation of the PH routines. 2016-02-14 12:41:19 +00:00
Doc The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules. 2016-02-28 15:47:13 +00:00
FFTXlib Update Makefile, make.depend and remove old copies of setup_dgc.f90 and compute_vsgga.f90 from PHonon/PH 2016-02-27 15:41:03 +00:00
GUI version update 2015-06-19 19:22:59 +00:00
GWW Moved the "lrpa" variable from the module "control_ph" to the module "control_lr". 2016-02-20 17:34:35 +00:00
LAXlib - adding timing for matrix multiplication, 2016-02-14 22:20:11 +00:00
LR_Modules The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules. 2016-02-28 15:47:13 +00:00
Modules Added mp_get interface for complex matrices, upon request 2016-02-26 16:15:21 +00:00
NEB Missing dependency maybe the reason why parallel make and buildbot don't work 2016-01-27 10:02:48 +00:00
PHonon Deleting the old copy of setqmod.f90 from PHonon 2016-02-28 14:07:43 +00:00
PP Fixxed a few more unexpected consequencies of yesterday's commit 2016-02-17 10:55:38 +00:00
PW Spin polarization is rho(up)-rho(dw), not the other way round! 2016-02-27 20:27:15 +00:00
PWCOND Since we are in the process of moving stuff around, I think it is a good 2016-01-26 12:51:02 +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 The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules. 2016-02-28 15:47:13 +00:00
VdW Merged the "nlcc_any" of the "nlcc_ph" module with the "nlcc_any" of the "uspp" module. 2016-02-20 17:16:16 +00:00
XSpectra Removal of unused "iunigk" variable 2016-02-09 15:08:11 +00:00
archive qe patch for plumed-1.3 updated to qe-5.2. Removal of veryold PLUMED-latest.tar.gz. 2015-06-11 13:51:00 +00:00
atomic Since we are in the process of moving stuff around, I think it is a good 2016-01-26 12:51:02 +00:00
clib - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
dev-tools Since we are in the process of moving stuff around, I think it is a good 2016-01-26 12:51:02 +00:00
include Preprocessing option __INTEL replaced by __INTEL_COMPILER that the compiler 2015-09-24 13:10:28 +00:00
install The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules. 2016-02-28 15:47:13 +00:00
pseudo Support for ballistic transport with DFT+U using pseudopotential projectors added to PWcond. 2012-10-24 09:41:28 +00:00
test-suite Minor documentation fix 2016-02-05 12:55:18 +00:00
upftools Obsolescent routine "bachel" moved from flib/ to the only place where it is 2016-01-24 09:51:46 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile The TDDFPT module is no longer dependent on PHonon. All the dependencies were moved to LR_Modules. 2016-02-28 15:47:13 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO A few minor things left out of last commit 2016-01-26 13:06:44 +00:00
configure Added make distclean: revert distribution to the original status 2016-01-08 10:51:21 +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), 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.