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README
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README
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******************************************
This is the wfoverlap program developed by F. Plasser, M. Ruckenbauer,
S. Mai, M. Oppel, P. Marquetand, and L. Gonzalez for the SHARC Program
Suite (see below for Copyright information) as described in
JCTC 2016, 12, 1207-1219 (https://dx.doi.org/10.1021/acs.jctc.5b01148).
Modifications (2020) by M. Pinheiro
Modifications (2021) by A. Fouda
******************************************
SHARC Program Suite
Copyright (c) 2019 University of Vienna
This file is part of SHARC.
SHARC 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 3 of the License, or
(at your option) any later version.
SHARC is distributed in the hope that it 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 SHARC. If not, see <http://www.gnu.org/licenses/>.
******************************************
Welcome to the SHARC Program Suite
Please refer to the following files for further information:
* AUTHORS: a list of the SHARC developers and contributors
* COPYRIGHT: the license under which SHARC can be used
* INSTALL: how to compile and install the program
* README: this file
directory structure:
* bin: the compiled executables as well as the Python scripts
* doc: the documentation (manual and tutorial)
* wfoverlap: wave function overlap program (with source/ and scripts/ directories)
--
for further information take a look at:
http://www.sharc-md.org