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giannozz 27aabe19d3 Bad call to ZGEMM in DFT+U forces: most compilers ignored it but PGI doesn't.
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13289 c92efa57-630b-4861-b058-cf58834340f0
2017-02-07 14:22:26 +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 Error message not working as expected 2017-01-16 18:50:01 +00:00
Doc Bad call to ZGEMM in DFT+U forces: most compilers ignored it but PGI doesn't. 2017-02-07 14:22:26 +00:00
EPW Modification to cope with PW changes. 2017-01-22 19:39:26 +00:00
FFTXlib Missing object files 2017-01-23 23:42:55 +00:00
GUI bug fix of "tclu::scan"; the number count of conversions was not always correct 2017-01-26 19:02:32 +00:00
GWW Removal of ctrl-M - many many changes but nothing really happening 2016-12-21 16:15:04 +00:00
LAXlib Missing object files 2017-01-23 23:42:55 +00:00
LR_Modules Cleanup of unused variables 2017-01-23 15:46:28 +00:00
Modules - functions made visible from outside the module, 2017-02-07 10:51:52 +00:00
NEB First set of changes needed to make new schema the default. Currently NEB will 2016-11-14 10:57:54 +00:00
PHonon update of reference data for PHonon examples 2017-02-07 14:07:15 +00:00
PP More improvements of the output of projwfc, suggested by Sasha Fonari 2017-01-20 11:14:35 +00:00
PW Bad call to ZGEMM in DFT+U forces: most compilers ignored it but PGI doesn't. 2017-02-07 14:22:26 +00:00
PWCOND make.depend updated 2016-11-14 17:22:37 +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 Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
XSpectra Module "ktetra" taken out of pwcom.f90 in view of some additions coming. 2016-12-21 14:23:06 +00:00
archive ELPA as external library, step 1 (ScaLAPACK continues to be mandatory). Added 2016-09-29 22:13:41 +00:00
atomic Documentation updated 2016-11-17 07:00:30 +00:00
clib Forgotten include file, has been moved to FFTXlib/ 2016-09-23 20:30:11 +00:00
dev-tools cleanup 2017-01-10 13:47:53 +00:00
include Documentation (sort of) for __MPI_MODULE 2017-01-08 16:21:22 +00:00
install Regenerated configure 2017-02-05 14:25:25 +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 Regenerating all test-suite reference outputs (last time before move it into an external repo) 2017-02-05 21:19:46 +00:00
upftools Cleanup of duplicated code 2016-12-06 21:14:50 +00:00
.travis.yml Trigger netlib self-compilation for BLAS and LAPACK during CI cycle. 2017-01-12 14:12:47 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Addition of Travis for CI. 2017-01-11 10:27:43 +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 make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +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).

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.