fix_vector.h
76e7a949bdf6lammm-master

fix_vector.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 FIX_CLASS

			FixStyle(vector,FixVector)

			#else

			#ifndef LMP_FIX_VECTOR_H
			#define LMP_FIX_VECTOR_H

			#include "fix.h"

			namespace LAMMPS_NS {

			class FixVector : public Fix {
			public:
			FixVector(class LAMMPS , int, char *);
			~FixVector();
			int setmask();
			void init();
			void setup(int);
			void end_of_step();
			double compute_vector(int);
			double compute_array(int,int);

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

			int ncount; // # of values currently in growing vector or array
			double *vector;
			double **array;
			};

			}

			#endif
			#endif

			/* ERROR/WARNING messages:

			*/