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lammps
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5505 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp 2011-01-07 21:57:45 +00:00
parent 140cdf9485
commit 66f56f982c
1 changed files with 21 additions and 8 deletions
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29
tools/binary2txt.cpp
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@ -23,10 +23,15 @@
#include "stdlib.h"
#include "string.h"
// this should match setting in src/lmptype.h
typedef int64_t bigint;
main(int narg, char **arg)
{
int i,j,k,m,n;
int ntimestep,natoms,size_one,nchunk,triclinic;
bigint ntimestep,natoms;
int size_one,nchunk,triclinic;
double xlo,xhi,ylo,yhi,zlo,zhi,xy,xz,yz;
int maxbuf = 0;
double *buf = NULL;
@ -58,7 +63,7 @@ main(int narg, char **arg)
while (1) {
fread(&ntimestep,sizeof(int),1,fp);
fread(&ntimestep,sizeof(bigint),1,fp);
// detect end-of-file
@ -68,7 +73,7 @@ main(int narg, char **arg)
break;
}
fread(&natoms,sizeof(int),1,fp);
fread(&natoms,sizeof(bigint),1,fp);
fread(&triclinic,sizeof(int),1,fp);
fread(&xlo,sizeof(double),1,fp);
fread(&xhi,sizeof(double),1,fp);
@ -84,10 +89,17 @@ main(int narg, char **arg)
fread(&size_one,sizeof(int),1,fp);
fread(&nchunk,sizeof(int),1,fp);
fprintf(fptxt,"ITEM: TIMESTEP\n");
fprintf(fptxt,"%d\n",ntimestep);
fprintf(fptxt,"ITEM: NUMBER OF ATOMS\n");
fprintf(fptxt,"%d\n",natoms);
if (sizeof(bigint) == 8) {
fprintf(fptxt,"ITEM: TIMESTEP\n");
fprintf(fptxt,"%ld\n",ntimestep);
fprintf(fptxt,"ITEM: NUMBER OF ATOMS\n");
fprintf(fptxt,"%ld\n",natoms);
} else if (sizeof(bigint) == 4) {
fprintf(fptxt,"ITEM: TIMESTEP\n");
fprintf(fptxt,"%d\n",ntimestep);
fprintf(fptxt,"ITEM: NUMBER OF ATOMS\n");
fprintf(fptxt,"%d\n",natoms);
}
if (!triclinic) {
fprintf(fptxt,"ITEM: BOX BOUNDS\n");
fprintf(fptxt,"%g %g\n",xlo,xhi);
@ -125,7 +137,8 @@ main(int narg, char **arg)
}
}
printf(" %d",ntimestep);
if (sizeof(bigint) == 8) printf(" %ld",ntimestep);
else if (sizeof(bigint) == 4) printf(" %d",ntimestep);
fflush(stdout);
}
printf("\n");