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git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12056 c92efa57-630b-4861-b058-cf58834340f0
2016-01-23 20:04:03 +00:00
COUPLE Obsolete reference to deleted variable removed 2015-12-21 12:50:36 +00:00
CPV Routines invmat, invmat_complex, dinv_matrix, zinv_matrix merged into a small 2016-01-20 10:34:27 +00:00
Doc User guide wasn't compiling any longer; minor updates to developer guide 2016-01-23 09:53:28 +00:00
FFTXlib dependencies and Makefiles updated so that "make all" compiles 2016-01-18 22:48:44 +00:00
GUI version update 2015-06-19 19:22:59 +00:00
GWW moving run_nscf to LR_Modules was not such a good idea.. too many dependencies 2016-01-20 09:00:31 +00:00
LAXlib - new Linear Algebra library 2016-01-23 16:34:07 +00:00
LR_Modules updated dependencies for addusdbec*.f90 move 2016-01-22 03:57:01 +00:00
Modules - removing LA files 2016-01-23 20:04:03 +00:00
NEB - according to the cray compiler path_interpolation apparently need libneb.a (to link path_format) 2016-01-19 23:24:16 +00:00
PHonon updated dependencies for addusdbec*.f90 move 2016-01-22 03:57:01 +00:00
PP Routines invmat, invmat_complex, dinv_matrix, zinv_matrix merged into a small 2016-01-20 10:34:27 +00:00
PW More explicit variable name and comments to clarify how to activate/deactivate 2016-01-23 11:53:56 +00:00
PWCOND PWCOND fixed 2016-01-14 16:18:07 +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 set_dbecsum_nc and set_int3_nc extracted from PHonon/PH/set_int12_nc.f90 and moved to LR_Modules as separated files 2016-01-22 03:00:30 +00:00
VdW - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
XSpectra Routines invmat, invmat_complex, dinv_matrix, zinv_matrix merged into a small 2016-01-20 10:34:27 +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 Routines invmat, invmat_complex, dinv_matrix, zinv_matrix merged into a small 2016-01-20 10:34:27 +00:00
clib - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
dev-tools How build full documentation 2016-01-16 08:51:37 +00:00
flib iit was not a good idea... yet 2016-01-20 13:02:44 +00:00
include Preprocessing option __INTEL replaced by __INTEL_COMPILER that the compiler 2015-09-24 13:10:28 +00:00
install Detecting HDF5 (the associated m4 is not fully tested, do not regenerate the configure yet). 2016-01-23 18:10:54 +00:00
pseudo Support for ballistic transport with DFT+U using pseudopotential projectors added to PWcond. 2012-10-24 09:41:28 +00:00
test-suite Added a guard to run-custom-test 2016-01-16 09:04:10 +00:00
upftools - FFT Modules replaced by FFTXlib 2015-11-21 10:37:48 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile dependencies and Makefiles updated so that "make all" compiles 2016-01-18 22:48:44 +00:00
README test commit mailing list 2012-08-20 12:18:30 +00:00
TODO To be honest, this is just a test 2016-01-23 17:42:53 +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.