Qreg (Quantum regions with regard to electrochemistry and generalization) is a framework for work-flow-based adaptive QM/MM computer simulations published under GPL v3.
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atom.cpp
atom.hpp
box.cpp
box.hpp
config.cpp
config.hpp
exe.cpp
exe.hpp
idconverter.cpp
idconverter.hpp
ifbase.cpp
ifbase.hpp
ifevb.cpp
ifevb.hpp
ifopengaff.cpp
ifopengaff.hpp
ifopenuff.cpp
ifopenuff.hpp
iforc.cpp
iforc.hpp
ifuff.cpp
ifuff.hpp
interface.cpp
interface.hpp
logger.cpp
logger.hpp
makefile
opengaff.cpp
openuff.cpp
partitioner.cpp
partitioner.hpp
qreg.cpp
qreg.hpp
qreg2vmd.py

README

    Qreg Copyright 2014-2017 Sebastian Dohm

    This program 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.

    This program 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 this program.  If not, see <http://www.gnu.org/licenses/>.