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.ci Restored original CI. Mar 22, 2018
COUPLE Once again, a problem with modules in Makefiles. In order to simplify… Jan 8, 2018
CPV make.depend updated Jun 28, 2018
Doc update release notes Jul 4, 2018
EPW Change -\tau to +\tau for wigner_g Jul 3, 2018
FFTXlib Correct data layout comment in fft_parallel. Jun 9, 2018
GUI explicitly stating fro which QE progs the 'M-x prog-insert-template' … Sep 28, 2017
GWW modified Makefiles to fix PGI compilation Jul 4, 2018
KS_Solvers Need to clean up the garbage npw to npwx. Jun 15, 2018
LAXlib Aligned changes to touch-dummy removal. May 22, 2018
LR_Modules Fixes for two potential out-of-bound errors - Mitsuaki Kawamura May 15, 2018
Modules corrected version number Jul 6, 2018
NEB Added compiled documentation files in *.pdf. *txt, *html format. Jun 22, 2018
PHonon Improved robustness of EPW (S. Ponce and C. Verdi) Jul 1, 2018
PP updated dates on user_guides Jun 29, 2018
PW updated make.depend files Jun 29, 2018
PWCOND Added compiled documentation files in *.pdf. *txt, *html format. Jun 22, 2018
PlotPhon Small bug (courtesy of Huiqun Zhou) Oct 18, 2010
QHA QHA broken by format change Apr 9, 2014
TDDFPT updated make.depend files Jun 29, 2018
UtilXlib Updated using makedep.sh Jun 30, 2018
XSpectra With the latest change, clean_pw, used in many places, depend upon df… May 10, 2018
archive fox lib modified to avoid a recent gfortran bug Apr 26, 2018
atomic Added compiled documentation files in *.pdf. *txt, *html format. Jun 22, 2018
clib Release notes updated; fixed localhost for i-Pi on MacOS (Venkat Kapil) Jun 4, 2018
dev-tools Merge branch 'bonfus/q-e-configcuda' into develop Jun 29, 2018
dft-d3 Printout of DFT-D3 information should be done on stdout, not on all p… Jun 20, 2018
include Various updates to documentation Apr 25, 2018
install fix make clean for SternheimerGW Jul 3, 2018
pseudo Rremoved pseudopotentials from SVN Oct 25, 2017
test-suite Change -\tau to +\tau for wigner_g Jul 3, 2018
upftools Cleanup of read_rhog: it doesn't read Miller indices except when needed Jun 13, 2018
.gitignore Added compiled documentation files in *.pdf. *txt, *html format. Jun 22, 2018
.gitlab-ci.yml Reverted last two commits. Now install/configure is again in the repo… Apr 16, 2018
.travis.yml Travis CI runs over a Ubuntu distro which does not support MPI-3. Feb 12, 2017
CONTRIBUTING.md Documentation updated to reflect new mailing list name Feb 28, 2018
License O-sesame Jan 19, 2003
Makefile Merge branch 'bonfus/q-e-configcuda' into develop Jun 29, 2018
README.md Update Readme Jan 28, 2018
configure Version in configure update; documentation updated to reflect the abs… Jun 29, 2018
environment_variables Various updates to documentation Apr 25, 2018
logo.jpg Update Readme Jan 28, 2018

README.md

q-e-logo

This is the distribution of the Quantum ESPRESSO suite of codes (ESPRESSO: opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization).

License: GPL v2

USAGE

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/

LICENSE

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.