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ccavazzoni f149ff1bcc - bug fix, small memory leakage
git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@6105 c92efa57-630b-4861-b058-cf58834340f0
2009-11-04 16:24:47 +00:00
CPV Startup of MPI processes of CP and PW merged - beware side effects! 2009-10-20 16:01:22 +00:00
D3 Parameter max_irr_dim removed from phonon and from d3. 2009-10-20 05:59:54 +00:00
Doc small update for doc (P.Giannozzi) 2009-10-23 10:22:28 +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 Yesterday commit was not compatible with GWW. Sorry. 2009-10-22 08:27:53 +00:00
Gamma First attempt to solve the problem of xcrysden not reading the final 2009-10-17 11:19:30 +00:00
Modules Startup of MPI processes of CP and PW merged - beware side effects! 2009-10-20 16:01:22 +00:00
PH Very small cleanup. 2009-11-02 13:15:45 +00:00
PP x-value of first k point in the plot set to 0. 2009-10-23 12:11:37 +00:00
PW - bug fix, small memory leakage 2009-11-04 16:24:47 +00:00
PWCOND Intrinsic AND that some compilers don't like replaced with stanbdard IAND 2009-10-20 10:58:58 +00:00
TDDFPT Some Examples added 2009-11-04 10:49:22 +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 Previous "improvement" of the documentation wasn't correct 2009-10-20 15:14:54 +00:00
examples becp_type used more extensively in the phonon code. 2009-10-21 06:34:59 +00:00
extlibs add iotk tar file 2009-10-30 11:50:39 +00:00
flib A mismatch problem between lowercase and imatch. 2009-10-23 14:02:27 +00:00
include Cleanup: gfortran hacks split into __GFORTRAN (for bugs) and __STD_F95 2009-09-25 14:05:11 +00:00
install Some minor changes to configure environment: 2009-11-04 14:58:01 +00:00
plugins small modif to clean and veryclean now sentences shorter 2009-10-30 11:32:37 +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 added iotk modif to main Makefile 2009-10-30 11:52:24 +00:00
README Doc + configure update 2007-11-21 15:49:25 +00:00
TODO A few things done (and a test) 2009-10-20 14:30:03 +00:00
cl2html.pl "make log" produces a ChangeLog file: bug fixed, html format added 2005-06-20 12:33:53 +00:00
configure Some minor changes to configure environment: 2009-11-04 14:58:01 +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.