55 lines
1.4 KiB
C++
55 lines
1.4 KiB
C++
/* -*- c++ -*- ----------------------------------------------------------
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LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
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https://www.lammps.org/, Sandia National Laboratories
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LAMMPS development team: developers@lammps.org
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Copyright (2003) Sandia Corporation. Under the terms of Contract
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DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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certain rights in this software. This software is distributed under
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the GNU General Public License.
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See the README file in the top-level LAMMPS directory.
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------------------------------------------------------------------------- */
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#ifndef LAMMPSRUNNER_H
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#define LAMMPSRUNNER_H
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#include <QThread>
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class LammpsRunner : public QThread {
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Q_OBJECT
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public:
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LammpsRunner(QObject *parent = nullptr) : QThread(parent), lammps(nullptr), input(nullptr) {}
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~LammpsRunner() = default;
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public:
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// execute LAMMPS in runner thread
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void run() override
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{
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lammps->commands_string(input);
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delete[] input;
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emit resultReady();
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}
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// transfer info to worker thread and reset LAMMPS instance
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void setup_run(LammpsWrapper *_lammps, const char *_input)
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{
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lammps = _lammps;
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input = _input;
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lammps->command("clear");
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}
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signals:
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void resultReady();
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private:
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LammpsWrapper *lammps;
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const char *input;
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};
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#endif
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// Local Variables:
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// c-basic-offset: 4
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// End:
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