lammps_data_write.h
c9188c00959eefficient_neuronet

lammps_data_write.h
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			#ifndef LAMMPS_DATA_WRITE_H
			#define LAMMPS_DATA_WRITE_H

			#include "send2one.h"
			#include "stdio.h"

			class LAMMPSDataWrite : public Send2One {
			public:
			LAMMPSDataWrite(MPI_Comm);
			~LAMMPSDataWrite();

			void pre();
			int size();
			void pack(char *);
			void process(int, char *);
			void post();

			void file(char *);
			void header(char *, int);
			void header(char *, double);
			void header(char *, double, double);
			void atoms(int);
			void atoms(int *);
			void atoms(double *);
			void atoms(int, double **);

			private:
			char *outfile;
			int nlocal;
			FILE *fp;

			int nheader,maxheader;
			char **format;
			int headtype,ihead;
			double *dhead;
			double **ddhead;

			int nper,maxper;
			int *atomtype;
			int **ivec;
			double **dvec;
			int *stride;

			void grow_header();
			void grow_peratom();
			};

			#endif