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lammps/examples/plugins/verlet2.h
2025-06-11 00:33:44 -04:00

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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
LAMMPS development team: developers@lammps.org
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
certain rights in this software. This software is distributed under
the GNU General Public License.
See the README file in the top-level LAMMPS directory.
------------------------------------------------------------------------- */
#ifndef LMP_VERLET2_H
#define LMP_VERLET2_H
#include "integrate.h"
namespace LAMMPS_NS {
class Verlet2 : public Integrate {
public:
Verlet2(class LAMMPS *, int, char **);
~Verlet2() override;
void init() override;
void setup(int flag) override;
void setup_minimal(int) override;
void run(int) override;
void force_clear() override;
void cleanup() override;
protected:
int triclinic; // 0 if domain is orthog, 1 if triclinic
int torqueflag, extraflag;
};
} // namespace LAMMPS_NS
#endif