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ccavazzoni c4008abe47 - fix for band parallelization and gamma point calculations (same as for k-point)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12460 c92efa57-630b-4861-b058-cf58834340f0
2016-06-03 13:50:04 +00:00
COUPLE Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
CPV Replicated, useless and confusing variable "outdir" in module io_files deleted 2016-05-31 18:07:16 +00:00
Doc More cleanup of k+G indices: almost all occurrences of k-point dependent "igk" 2016-05-23 16:00:53 +00:00
EPW Update of the description of test 5. 2016-06-01 14:40:27 +00:00
FFTXlib Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
GUI version update 2015-06-19 19:22:59 +00:00
GWW Replicated, useless and confusing variable "outdir" in module io_files deleted 2016-05-31 18:07:16 +00:00
LAXlib Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
LR_Modules Statically dimensioned vector "nbnd_occ" made dynamical. 2016-06-01 08:30:58 +00:00
Modules bug correction in qexsd.f90: a wyckoff_position object was freed without ever being initialized. Few more corrections in qes_libs.f90 and qes_types.f90. nat a space_group attributes now are not optional any more. 2016-06-02 14:54:18 +00:00
NEB Fix for NEB+hybrid functionals (courtesy of Daveide Colleoni) 2016-05-05 21:08:14 +00:00
PHonon More removal of index I/O in the phonon code - again, shuld be harmless but 2016-06-03 13:22:19 +00:00
PP Replicated, useless and confusing variable "outdir" in module io_files deleted 2016-05-31 18:07:16 +00:00
PW - fix for band parallelization and gamma point calculations (same as for k-point) 2016-06-03 13:50:04 +00:00
PWCOND Replicated, useless and confusing variable "outdir" in module io_files deleted 2016-05-31 18:07:16 +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 Statically dimensioned vector "nbnd_occ" made dynamical. 2016-06-01 08:30:58 +00:00
XSpectra Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +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 Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
clib - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
dev-tools Updating release procedure 2016-04-25 09:16:46 +00:00
include Cleanup of obsolete stuff in include/ - please note what is marked OBSOLESCENT 2016-05-19 12:35:41 +00:00
install Since we use now the configure.h generated by WanT, let remove it only when distclean is invoked 2016-05-19 08:34:33 +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 Little changes that only affect behaviour with BuildBot 2016-05-18 08:09:12 +00:00
upftools Explicit preprocessing produces *_tmp.f90 files instead of *.F90 files, to 2016-04-27 14:53:38 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Little changes that only affect behaviour with BuildBot 2016-05-18 08:09:12 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO Minor updates to documentation 2016-04-20 13:33:31 +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.