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F88130463
lammps_data_write.h
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Wed, Oct 16, 23:21
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806 B
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text/x-c
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Fri, Oct 18, 23:21 (1 d, 22 h)
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rLAMMPS lammps
lammps_data_write.h
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#ifndef LAMMPS_DATA_WRITE_H
#define LAMMPS_DATA_WRITE_H
#include <stdio.h>
#include "send2one.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
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