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marsamos 13673674d6 add extlib dir and contents (lapack blas multigrid)
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6009 c92efa57-630b-4861-b058-cf58834340f0
2009-10-15 13:14:30 +00:00
CPV Yesterday's commit had a bug that affected NEB. Some cleanup. 2009-09-27 04:12:20 +00:00
D3 Namelist &phonon and related variables removed from PWscf. It wasn't working 2009-09-24 19:44:04 +00:00
Doc Minor updates (configure in install/ etc) 2009-10-01 19:28:32 +00:00
EE first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
GIPAW Small cleanup. add_vuspsi does not use psi. 2009-10-14 14:32:37 +00:00
GUI Namelist &phonon and related variables removed from PWscf. It wasn't working 2009-09-24 19:44:04 +00:00
GWW Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
Gamma Small cleanup. add_vuspsi does not use psi. 2009-10-14 14:32:37 +00:00
Modules Yet another fix (hopefully the last one) to parallelism in DFT-D. 2009-10-01 09:01:20 +00:00
Multigrid Unused routine removed 2009-03-25 08:53:12 +00:00
PH Another small cleanup due to the becp modifications. 2009-10-14 15:19:08 +00:00
PP Oops! 2009-10-02 05:33:27 +00:00
PW Small cleanup. A few declared but not used variables removed. 2009-10-15 13:04:39 +00:00
PWCOND In an attempt to unifying the management of becp-like variables in various cases 2009-09-16 15:26:25 +00:00
TDDFPT Some checks before the IARS school 2009-10-14 12:32:29 +00:00
VdW Previous commit was not completed. 2009-10-14 14:43:03 +00:00
XSpectra last changes on becp broke compilation of xspectra. 2009-09-21 09:17:22 +00:00
atomic first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
atomic_doc Added NLCC to N pseudopotential. 2009-03-25 15:26:05 +00:00
clib memstat.c modified to be compliant with C standard (picky compilers may complain) 2009-10-10 16:36:49 +00:00
cptests variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
dev-tools Packaging updated and simplified a little bit - now "make doc" makes pdf 2009-07-22 13:32:58 +00:00
doc-def Electric field units made explicit in all cases (and updated with NIST data) 2009-10-01 19:34:52 +00:00
examples One more example updated 2009-09-28 12:58:52 +00:00
extlibs add extlib dir and contents (lapack blas multigrid) 2009-10-15 13:14:30 +00:00
flib first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
include Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
install FFT_LIBS loaded before BLAS_LIBS. Useful for mkl + fft, should be harmless 2009-09-26 10:58:03 +00:00
plugins add module coulomb_vcut for EXX div (G. Bussi, A. Ferretti, L. Martin-S) 2009-09-13 16:48:24 +00:00
pseudo first implementation of Martyna-Tuckerman method to decouple periodic 2009-09-09 12:59:40 +00:00
pwtools Small change to the installation mechanism: the list of locations for 2009-07-22 17:18:42 +00:00
tests variables nelec, nelup and neldw removed from input 2009-09-18 13:30:27 +00:00
upftools Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile Bug fix (?) : make veryclean was not working any more on my PC. Please check. 2009-09-22 15:24:44 +00:00
README Doc + configure update 2007-11-21 15:49:25 +00:00
TODO Even more things to do .... 2009-10-10 16:39:18 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure CFLAGS is a source of trouble: arguments passed directly to configure 2009-09-28 12:36:54 +00:00
cvs2cl.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +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 DEMOCRITOS National Simulation Center 
of the Italian INFM (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 documentation contained in directory Doc/,
consult the web site http://www.quantum-espresso.org/ and in particular
the Wiki page http://www.quantum-espresso.org/wiki/index.php/Main_Page .

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.