compute_sum.h
fd0e404679calammm-master-deprecated

compute_sum.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 COMPUTE_SUM_H
			#define COMPUTE_SUM_H

			#include "compute.h"

			namespace LAMMPS_NS {

			class ComputeSum : public Compute {
			public:
			ComputeSum(class LAMMPS , int, char *);
			~ComputeSum();
			void init();
			double compute_scalar();
			void compute_vector();
			double memory_usage();

			private:
			int nvalues;
			int which,argindex,*value2index;
			char **ids;
			double *onevec;

			int maxatom;
			double *varatom;

			double compute_one(int);
			};

			}

			#endif