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Oliviero Andreussi 1f690d9233 fixed a bug in lr_readin.f90, wrong arguments in call to plugin_scf_potential 2018-06-28 15:17:34 -05:00
COUPLE Once again, a problem with modules in Makefiles. In order to simplify things, 2018-01-08 22:28:48 +01:00
CPV Implemented in cp.x correct change of timestep with autopilot module during a verlet run 2018-06-28 11:21:07 +02:00
Doc Merge branch 'develop' of https://gitlab.com/QEF/q-e into develop 2018-06-26 19:25:29 +02:00
EPW Small bug in write_winfil 2018-06-26 11:03:55 +01:00
FFTXlib Correct data layout comment in fft_parallel. 2018-06-09 12:04:27 -05:00
GUI explicitly stating fro which QE progs the 'M-x prog-insert-template' command is available 2017-09-28 10:44:59 +00:00
GWW With the latest change, clean_pw, used in many places, depend upon dft-d3/. 2018-05-10 08:27:14 +02:00
KS_Solvers Need to clean up the garbage npw to npwx. 2018-06-14 19:58:00 -05:00
LAXlib ELPA cleanup, following a suggestion by Ye Luo, Argonne: define 2018-02-05 17:16:07 +01:00
LR_Modules Fixes for two potential out-of-bound errors - Mitsuaki Kawamura 2018-05-15 14:03:33 +02:00
Modules Added input option in cp.x 2018-06-27 19:06:29 +02:00
NEB Added compiled documentation files in *.pdf. *txt, *html format. 2018-06-22 17:41:44 +02:00
PHonon when twfcollect is false ph do not revert to scf dir for lgamma case. 2018-06-27 18:31:05 +02:00
PP Added compiled documentation files in *.pdf. *txt, *html format. 2018-06-22 17:41:44 +02:00
PW Merge branch 'tdplugin' of gitlab.com:olivieroandreussi/q-e into tdplugin 2018-06-28 12:20:41 -05:00
PWCOND Added compiled documentation files in *.pdf. *txt, *html format. 2018-06-22 17:41:44 +02:00
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 fixed a bug in lr_readin.f90, wrong arguments in call to plugin_scf_potential 2018-06-28 15:17:34 -05:00
UtilXlib Release-notes updated, obsolete script for release deleted. 2018-06-20 18:37:23 +02:00
XSpectra With the latest change, clean_pw, used in many places, depend upon dft-d3/. 2018-05-10 08:27:14 +02:00
archive fox lib modified to avoid a recent gfortran bug 2018-04-26 18:00:44 +02:00
atomic Added compiled documentation files in *.pdf. *txt, *html format. 2018-06-22 17:41:44 +02:00
clib Release notes updated; fixed localhost for i-Pi on MacOS (Venkat Kapil) 2018-06-04 17:54:42 +02:00
dev-tools Release-notes updated, obsolete script for release deleted. 2018-06-20 18:37:23 +02:00
dft-d3 Printout of DFT-D3 information should be done on stdout, not on all procs! 2018-06-20 19:08:35 +02:00
include Various updates to documentation 2018-04-25 22:48:12 +02:00
install Updating plugin for v6.3 2018-06-18 11:38:49 +02:00
pseudo Rremoved pseudopotentials from SVN 2017-10-25 14:51:27 +00:00
test-suite Gamma test for b3lyp now tests stress as well 2018-06-23 18:31:40 +02:00
upftools Cleanup of read_rhog: it doesn't read Miller indices except when needed 2018-06-13 13:45:55 +02:00
.gitignore Added compiled documentation files in *.pdf. *txt, *html format. 2018-06-22 17:41:44 +02:00
.gitlab-ci.yml Add compilation of ph code to the gitlab-CI. 2018-02-13 18:02:06 +00:00
.travis.yml Travis CI runs over a Ubuntu distro which does not support MPI-3. 2017-02-12 23:02:49 +00:00
CONTRIBUTING.md Documentation updated to reflect new mailing list name 2018-02-28 14:40:26 +01:00
License O-sesame 2003-01-19 21:58:50 +00:00
Makefile "make clean" removes all downloaded PP files and computed kernel files. 2018-06-13 21:30:27 +02:00
README.md Update Readme 2018-01-28 11:11:52 +00:00
configure The "configure" script is supposed to do a "make clean" except with -s option 2017-07-31 16:49:52 +00:00
environment_variables Various updates to documentation 2018-04-25 22:48:12 +02:00
logo.jpg Update Readme 2018-01-28 11:11:52 +00:00

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.