Page MenuHomec4science
Files F107582434

pair_coul_long_omp.h
No OneTemporary
Actions

File Metadata

Created
Wed, Apr 9, 03:37

pair_coul_long_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(coul/long/omp,PairCoulLongOMP)
#else
#ifndef LMP_PAIR_COUL_LONG_OMP_H
#define LMP_PAIR_COUL_LONG_OMP_H
#include "pair_omp.h"
namespace LAMMPS_NS {
class PairCoulLongOMP : public PairOMP {
public:
PairCoulLongOMP(class LAMMPS *);
~PairCoulLongOMP();
void compute(int, int);
void settings(int, char **);
void coeff(int, char **);
void init_style();
double init_one(int, int);
void write_restart(FILE *);
void read_restart(FILE *);
void write_restart_settings(FILE *);
void read_restart_settings(FILE *);
double single(int, int, int, int, double, double, double, double &);
void *extract(char *);
virtual double memory_usage();
protected:
template <int EVFLAG, int EFLAG, int NEWTON_PAIR> void eval();
private:
double cut_coul,cut_coulsq;
double *cut_respa;
double g_ewald;
double tabinnersq;
double *rtable,*drtable,*ftable,*dftable,*ctable,*dctable;
double *etable,*detable,*ptable,*dptable,*vtable,*dvtable;
int ncoulshiftbits,ncoulmask;
void allocate();
void init_tables();
void free_tables();
};
}
#endif
#endif

Event Timeline

c4science · Help