Go to file
spigafi a4b01e8c0c Update macros related to ELPA
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13059 c92efa57-630b-4861-b058-cf58834340f0
2016-10-02 10:18:46 +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 Stress in CP with vdw-DF doesn't work as expected, disabled 2016-10-01 19:27:30 +00:00
Doc A few more git commands described - no warranty. 2016-09-25 16:44:41 +00:00
EPW Small bugfix in case of parallelization over fine q-grid. 2016-09-29 18:06:30 +00:00
FFTXlib - BUG FIX: wrong charge in PW with task groups, and number of processors 2016-10-01 22:05:53 +00:00
GUI better regexp for namelists 2016-08-19 15:30:03 +00:00
GWW ifndef preprocessor macro refactoring 2016-09-19 21:11:20 +00:00
LAXlib ELPA "get_elpa_row_col_comms" returns integer, not boolean. Thanks Paulatto. 2016-09-22 14:58:25 +00:00
LR_Modules fdef preprocessor macro refactoring (LR_Modules) 2016-09-17 14:36:58 +00:00
Modules Routine 'compilation_info' is not yet production ready, if lines exceed 132 2016-09-29 22:38:37 +00:00
NEB Improved handling of dependencies between input_xx.xsl and resulting INPUT_*.html|txt 2016-09-26 14:07:52 +00:00
PHonon Minor changes, mostly to cope with 'make -j' 2016-10-01 17:12:37 +00:00
PP backslash character made preprocessing-resistent 2016-09-28 16:40:58 +00:00
PW Unified IFDEF macro style 2016-10-02 10:17:54 +00:00
PWCOND Improved handling of dependencies between input_xx.xsl and resulting INPUT_*.html|txt 2016-09-26 14:16:43 +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 Minor changes, mostly to cope with 'make -j' 2016-10-01 17:12:37 +00:00
XSpectra Explicitly declaring the array size prevents segfault on ifort 13 in some cases 2016-09-19 12:31:46 +00:00
archive ELPA as external library, step 1 (ScaLAPACK continues to be mandatory). Added 2016-09-29 22:13:41 +00:00
atomic Protective if 2016-10-01 13:46:12 +00:00
clib Forgotten include file, has been moved to FFTXlib/ 2016-09-23 20:30:11 +00:00
dev-tools New packaging 2016-10-01 17:20:29 +00:00
include Update macros related to ELPA 2016-10-02 10:18:46 +00:00
install PWgui included in qe source package 2016-10-02 10:01:15 +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 testcode flushes stdout after each test run, courtesy of Michael Banks 2016-09-23 18:44:27 +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 PWgui included in qe source package 2016-10-02 10:01:15 +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.