Homec4science
Diffusion lammps (lammps-icms) Browse

lammps/src/USER-OPENMP/pair_soft_omp.h
8366490d0138lammps-icms

Last Change
Raw File

pair_soft_omp.h
View Options

/* ----------------------------------------------------------------------
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 PAIR_CLASS
PairStyle(soft/omp,PairSoftOMP)
#else
#ifndef LMP_PAIR_SOFT_OMP_H
#define LMP_PAIR_SOFT_OMP_H
#include "pair_omp.h"
namespace LAMMPS_NS {
class PairSoftOMP : public PairOMP {
friend class Pair;
public:
PairSoftOMP(class LAMMPS *);
~PairSoftOMP();
virtual void compute(int, int);
virtual void settings(int, char **);
virtual void coeff(int, char **);
virtual double init_one(int, int);
virtual void write_restart(FILE *);
virtual void read_restart(FILE *);
virtual void write_restart_settings(FILE *);
virtual void read_restart_settings(FILE *);
virtual double single(int, int, int, int, double, double, double, double &);
virtual double memory_usage();
protected:
template <int EVFLAG, int EFLAG, int NEWTON_PAIR> void eval();
template <int NEWTON_PAIR> void eval_inner();
template <int NEWTON_PAIR> void eval_middle();
template <int EVFLAG, int EFLAG, int VFLAG, int NEWTON_PAIR>
void eval_outer();
protected:
double PI;
double cut_global;
double **prestart,**prestop;
double **prefactor;
double **cut;
void allocate();
};
}
#endif
#endif
c4science · Help