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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.
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sharc-md/sharc
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****************************************** SHARC Program Suite Copyright (c) 2023 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
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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.
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