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lammps/src/min_fire.h
2023-01-10 16:20:00 -05:00

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C++

/* -*- 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.
------------------------------------------------------------------------- */
#ifdef MINIMIZE_CLASS
// clang-format off
MinimizeStyle(fire,MinFire);
// clang-format on
#else
#ifndef LMP_MIN_FIRE_H
#define LMP_MIN_FIRE_H
#include "min.h"
namespace LAMMPS_NS {
class MinFire : public Min {
public:
MinFire(class LAMMPS *);
void init() override;
void setup_style() override;
void reset_vectors() override;
int iterate(int) override;
private:
double dt, dtmax, dtmin;
double alpha;
bigint last_negative, ntimestep_start;
int vdotf_negatif, flagv0;
template <int INTEGRATOR, bool ABCFLAG> int run_iterate(int);
};
} // namespace LAMMPS_NS
#endif
#endif