pair_lj_class2_coul_pppm_omp.h
9a9291036d88master

pair_lj_class2_coul_pppm_omp.h
View Options

			/* -- 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.
			------------------------------------------------------------------------- */

			/* ----------------------------------------------------------------------
			Contributing author: Axel Kohlmeyer (Temple U)
			------------------------------------------------------------------------- */

			#ifdef PAIR_CLASS

			PairStyle(lj/class2/coul/pppm/omp,PairLJClass2CoulPPPMOMP)

			#else

			#ifndef LMP_PAIR_LJ_CLASS2_COUL_PPPM_OMP_H
			#define LMP_PAIR_LJ_CLASS2_COUL_PPPM_OMP_H

			#include "pair_lj_class2_coul_long.h"
			#include "thr_omp.h"

			namespace LAMMPS_NS {

			class PairLJClass2CoulPPPMOMP : public PairLJClass2CoulLong, public ThrOMP {

			public:
			PairLJClass2CoulPPPMOMP(class LAMMPS *);
			virtual ~PairLJClass2CoulPPPMOMP() {};

			virtual void init_style();

			virtual void compute(int, int);
			virtual double memory_usage();

			private:
			template <int EVFLAG, int EFLAG, int NEWTON_PAIR>
			void eval(int ifrom, int ito, ThrData * const thr);

			class PPPMProxy *kspace;
			int nproxy;
			};

			}

			#endif
			#endif