pppm_cg.h
62b27e591539lammm-master

pppm_cg.h
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			/* ----------------------------------------------------------------------
			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 KSPACE_CLASS

			KSpaceStyle(pppm/cg,PPPMCG)

			#else

			#ifndef LMP_PPPM_CG_H
			#define LMP_PPPM_CG_H

			#include "pppm.h"

			namespace LAMMPS_NS {

			class PPPMCG : public PPPM {
			public:
			PPPMCG(class LAMMPS , int, char *);
			virtual ~PPPMCG();
			virtual void compute(int eflag, int vflag);
			virtual double memory_usage();

			protected:
			int num_charged;
			int *is_charged;
			double smallq;

			virtual void particle_map();
			virtual void make_rho();
			virtual void fieldforce();
			virtual void slabcorr(int);
			};

			}

			#endif
			#endif