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degironc 8f20e8c762 add a PARA_POSTFIX to run-cp.sh so that different parallelization
levels can be tested


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13711 c92efa57-630b-4861-b058-cf58834340f0
2017-08-08 21:33:33 +00:00
COUPLE make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
CPV - commenting out stuff still under development ... 2017-08-07 14:00:15 +00:00
Doc __USE_3D_FFT wasn't working for hybrid functionals (it wasn't properly set 2017-08-08 08:46:11 +00:00
EPW Debug to correct a bug in test-suite/epw_super 2017-08-07 11:34:05 +00:00
FFTXlib Missing interfaces for FFTW + misspells, noticed by Anton 2017-08-08 14:17:21 +00:00
GUI Adopting to new versions of itk-4.*. 2017-07-10 14:22:53 +00:00
GWW MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
KS_Solvers MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
LAXlib KS_Solvers directory has been created with three subdirectories: 2017-07-29 12:19:19 +00:00
LR_Modules MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
Modules __USE_3D_FFT wasn't working for hybrid functionals (it wasn't properly set 2017-08-08 08:46:11 +00:00
NEB KS_Solvers directory has been created with three subdirectories: 2017-07-29 12:19:19 +00:00
PHonon The tensors file was not collected. 2017-08-05 09:23:50 +00:00
PP MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
PW comment out a number of intermediate printing 2017-08-08 12:23:13 +00:00
PWCOND LAXlib was missing from pwcond Makefile 2017-08-04 11:26:37 +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 MAJOR restructuring of the FFTXlib library 2017-08-01 20:31:02 +00:00
UtilXlib Misc problems with error messages 2017-08-07 11:10:41 +00:00
XSpectra KS_Solvers directory has been created with three subdirectories: 2017-07-29 12:19:19 +00:00
archive hopefully fixed problem of the pgi compilers with the fox library 2017-08-04 12:05:09 +00:00
atomic KS_Solvers directory has been created with three subdirectories: 2017-07-29 12:19:19 +00:00
clib F77_FUNC wrapper for C routines deleted with all associated configure machinery. 2017-07-28 13:55:26 +00:00
dev-tools Update release script 2017-03-02 22:49:05 +00:00
include F77_FUNC wrapper for C routines deleted with all associated configure machinery. 2017-07-28 13:55:26 +00:00
install adding the forgotten install/configure file together with few other things 2017-07-30 20:54:07 +00:00
pseudo Added needed PP - it would be preferrable to use either an already available 2016-04-21 18:41:14 +00:00
test-suite add a PARA_POSTFIX to run-cp.sh so that different parallelization 2017-08-08 21:33:33 +00:00
upftools UtilXlib directory created to contain a library (libutil.a) for 2017-07-26 11:15:20 +00:00
.gitignore Upon suggestion of Nicola Mounet et al. 2017-02-12 18:46:41 +00:00
.travis.yml Travis CI runs over a Ubuntu distro which does not support MPI-3. 2017-02-12 23:02:49 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile adding the forgotten install/configure file together with few other things 2017-07-30 20:54:07 +00:00
README Obsolete quote of Democritos as promoter of Quantum ESPRESSO 2016-06-17 12:54:16 +00:00
TODO make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
configure The "configure" script is supposed to do a "make clean" except with -s option 2017-07-31 16:49:52 +00:00
environment_variables KS_Solvers directory has been created with three subdirectories: 2017-07-29 12:19:19 +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).

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.