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2016-08-09 16:16:42 +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 - small boxes fft variables placed in a separate datatype, and removed from fft type 2016-08-06 09:09:42 +00:00
Doc Reshuffling of initialization routines: call to data_structure extracted from 2016-08-08 13:01:39 +00:00
EPW Debug of plot_band in parallel. 2016-08-09 15:21:34 +00:00
FFTXlib - wrong POINTER specifier 2016-08-07 12:41:55 +00:00
GUI making the correct single quotes in verbatim mode 2016-08-02 16:25:55 +00:00
GWW Variables iunigk and igk deleted from global variables. Beware: may break some 2016-08-07 13:33:29 +00:00
LAXlib - small boxes fft variables placed in a separate datatype, and removed from fft type 2016-08-06 09:09:42 +00:00
LR_Modules - logical flag have_task_groups removed from FFT type. 2016-07-29 16:37:19 +00:00
Modules Variables iunigk and igk deleted from global variables. Beware: may break some 2016-08-07 13:33:29 +00:00
NEB the *.def --> *.xml --> *.html transformation depends on the input_xx.xsl file; adding the dependency 2016-08-09 16:10:33 +00:00
PHonon Removal of last reference to "igkq" in the phonon code 2016-08-08 12:58:16 +00:00
PP Reshuffling of initialization routines: call to data_structure extracted from 2016-08-08 13:01:39 +00:00
PW 1. all tabs expanded into white-spaces (to prevent misalignment of text) 2016-08-09 12:56:38 +00:00
PWCOND make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +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 indexing of real_space related variable betasave(:,:,:) changed from 2016-08-04 11:42:11 +00:00
XSpectra Variables iunigk and igk deleted from global variables. Beware: may break some 2016-08-07 13:33:29 +00:00
archive make.sys updated to make.inc in ELPA as well 2016-07-08 16:22:14 +00:00
atomic flib/ is no more: documentation updated 2016-07-19 16:18:04 +00:00
clib - adding support file for qmmm simulations to setup auxiliary quantities like 2016-07-25 07:22:56 +00:00
dev-tools ouch ... 2016-08-09 16:16:42 +00:00
include Cleanup of obsolete stuff in include/ - please note what is marked OBSOLESCENT 2016-05-19 12:35:41 +00:00
install I forgot two .inc in configure... sorry. 2016-07-01 11:17:31 +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 Ford documentation+slight changes of the tests farm parameters. 2016-08-09 14:38:00 +00:00
upftools make.sys => make.inc. All other codes using make.sys should modify their build 2016-06-25 07:26:50 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile adding tar-qe-modes target for making the QE-modes tarball 2016-08-02 16:29:58 +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.