GitHub - Emieeel/sharc: The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

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The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of molecules.

www.sharc-md.org

GPL-3.0 license

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.github/workflows		.github/workflows
bin		bin
doc		doc
examples		examples
lib		lib
pysharc		pysharc
source		source
tests		tests
wfoverlap		wfoverlap
.travis.yml		.travis.yml
AUTHORS		AUTHORS
CHANGES		CHANGES
COPYRIGHT		COPYRIGHT
INSTALL		INSTALL
LICENSE		LICENSE
README		README

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******************************************

    SHARC Program Suite

    Copyright (c) 2021 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:

* source:       the (Fortran90) source files
* bin:          the compiled executables as well as the Python scripts
* doc:          the documentation (manual and tutorial)
* tests:        a test suite to check the installation.  
* examples:     documented example inputs for quantum chemistry interfaces
* pysharc:      source code for the PySHARC extension of SHARC
* lib:          Python libraries for some SHARC components
* wfoverlap:    wave function overlap program (with source/ and scripts/ directories)

--
for further information take a look at:
http://www.sharc-md.org