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lammps/src/USER-OMP/fix_omp.h
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fix_omp.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
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 FIX_CLASS
FixStyle(OMP,FixOMP)
#else
#ifndef LMP_FIX_OMP_H
#define LMP_FIX_OMP_H
#include "fix.h"
namespace LAMMPS_NS {
class ThrData;
class FixOMP : public Fix {
friend class ThrOMP;
public:
FixOMP(class LAMMPS *, int, char **);
virtual ~FixOMP();
virtual int setmask();
virtual void init();
virtual void pre_force(int);
virtual void setup_pre_force(int vflag) { pre_force(vflag); };
virtual void min_setup_pre_force(int vflag) { pre_force(vflag); };
virtual void min_pre_force(int vflag) { pre_force(vflag); };
virtual void setup_pre_force_respa(int vflag,int) { pre_force(vflag); };
virtual void pre_force_respa(int vflag,int,int) { pre_force(vflag); };
virtual double memory_usage();
ThrData *get_thr(int tid) { return thr[tid]; };
int get_nthr() const { return _nthr; }
protected:
ThrData **thr;
void *last_omp_style; // pointer to the style that needs
// to do the general force reduction
void *last_pair_hybrid; // pointer to the pair style that needs
// to call virial_fdot_compute()
public:
bool get_neighbor() const {return _neighbor;};
bool get_newton() const {return _newton;};
private:
int _nthr; // number of currently active ThrData object
bool _neighbor; // en/disable threads for neighbor list construction
bool _newton; // en/disable newton's 3rd law for local atoms.
void set_neighbor_omp();
};
}
#endif
#endif
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