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giannozz 05e60f162c Stupid bug with startingwfc='file' and wf_collect=.true. - yet another case in
which a useless check may become harmful. Thanks to Jia Chen.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12913 c92efa57-630b-4861-b058-cf58834340f0
2016-09-05 08:19:59 +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 Too many hyphens in "helpdoc --version", the correct syntax is "-version" 2016-08-30 16:54:59 +00:00
Doc Stupid bug with startingwfc='file' and wf_collect=.true. - yet another case in 2016-09-05 08:19:59 +00:00
EPW Write isk to crystal file 2016-09-04 17:44:19 +00:00
FFTXlib It was not compiling... 2016-08-29 18:46:57 +00:00
GUI better regexp for namelists 2016-08-19 15:30:03 +00:00
GWW Redundant routine kpoint_global_indices replaced by global_kpoint_index. 2016-09-01 08:20:30 +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 Oops ... 2016-08-31 18:30:15 +00:00
Modules 1. got rid of unused program_name variable 2016-09-01 12:42:32 +00:00
NEB Too many hyphens in "helpdoc --version", the correct syntax is "-version" 2016-08-30 16:54:59 +00:00
PHonon Cleanup of pool operations: a general-purpose routine "poolcollect" replaces 2016-08-31 14:10:56 +00:00
PP Redundant routine kpoint_global_indices replaced by global_kpoint_index. 2016-09-01 08:20:30 +00:00
PW Stupid bug with startingwfc='file' and wf_collect=.true. - yet another case in 2016-09-05 08:19:59 +00:00
PWCOND Too many hyphens in "helpdoc --version", the correct syntax is "-version" 2016-08-30 16:54:59 +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 Ooops ... forgot to change the arguments of divide_et_impera 2016-08-31 17:25:16 +00:00
XSpectra Added LDFLAGS to build molecularnexafs. 2016-09-01 08:01:11 +00:00
archive make.sys updated to make.inc in ELPA as well 2016-07-08 16:22:14 +00:00
atomic Too many hyphens in "helpdoc --version", the correct syntax is "-version" 2016-08-30 16:54:59 +00:00
clib Added interface with PALENQUE. Following the traditional logic (or lack of it) 2016-08-24 19:54:34 +00:00
dev-tools smallish ... 2016-08-19 15:39:09 +00:00
include __PARA completely deprecated 2016-09-01 11:19:13 +00:00
install HDF5_LIB, not HFD5_LIB 2016-09-02 12:19:28 +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 Update two benchmarks to reflect the new EPW restart feature. 2016-08-31 16:33:18 +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 Cleaning GPU targets. Version numbers updated. 2016-08-29 13:06:21 +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.