atom_vec_charge.h
aef3f32236edlammm-master-deprecated

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

			#ifndef ATOM_VEC_CHARGE_H
			#define ATOM_VEC_CHARGE_H

			#include "atom_vec.h"

			namespace LAMMPS_NS {

			class AtomVecCharge : public AtomVec {
			public:
			AtomVecCharge(class LAMMPS , int, char *);
			void grow(int);
			void copy(int, int);
			int pack_comm(int, int , double , int, int *);
			void unpack_comm(int, int, double *);
			int pack_reverse(int, int, double *);
			void unpack_reverse(int, int , double );
			int pack_border(int, int , double , int, int *);
			int pack_border_one(int, double *);
			void unpack_border(int, int, double *);
			int unpack_border_one(int, double *);
			int pack_exchange(int, double *);
			int unpack_exchange(double *);
			int size_restart();
			int pack_restart(int, double *);
			int unpack_restart(double *);
			void create_atom(int, double *);
			void data_atom(double , int, char *);
			int data_atom_hybrid(int, char **);
			double memory_usage();

			private:
			int tag,type,mask,image;
			double x,v,**f;
			double *q;
			};

			}

			#endif