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

			#ifndef LMP_KSPACE_H
			#define LMP_KSPACE_H

			#include "pointers.h"

			namespace LAMMPS_NS {

			class KSpace : protected Pointers {
			public:
			double energy;
			double virial[6];
			double g_ewald;
			int nx_pppm,ny_pppm,nz_pppm;

			KSpace(class LAMMPS , int, char *);
			virtual ~KSpace() {}
			void modify_params(int, char **);
			void extract(char );

			virtual void init() = 0;
			virtual void setup() = 0;
			virtual void compute(int, int) = 0;
			virtual void timing(int, double &, double &) {}
			virtual double memory_usage() {return 0.0;}

			protected:
			double slab_volfactor;
			int gridflag,gewaldflag;
			int order;
			int slabflag;
			double scale;
			};

			}

			#endif

lammps/src/kspace.h
85f070b25b3emaster

kspace.h
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