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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2650 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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This commit is contained in:
sjplimp
2009-03-16 22:48:14 +00:00
parent a4cb19205e
commit d9a1f42d41
2 changed files with 21 additions and 11 deletions
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25
tools/binary2txt.cpp
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@ -26,8 +26,8 @@
main(int narg, char **arg)
{
int i,j,k,m,n;
int ntimestep,natoms,size_one,nchunk;
double xlo,xhi,ylo,yhi,zlo,zhi;
int ntimestep,natoms,size_one,nchunk,triclinic;
double xlo,xhi,ylo,yhi,zlo,zhi,xy,xz,yz;
int maxbuf = 0;
double *buf = NULL;
@ -69,12 +69,18 @@ main(int narg, char **arg)
}
fread(&natoms,sizeof(int),1,fp);
fread(&triclinic,sizeof(int),1,fp);
fread(&xlo,sizeof(double),1,fp);
fread(&xhi,sizeof(double),1,fp);
fread(&ylo,sizeof(double),1,fp);
fread(&yhi,sizeof(double),1,fp);
fread(&zlo,sizeof(double),1,fp);
fread(&zhi,sizeof(double),1,fp);
if (triclinic) {
fread(&xy,sizeof(double),1,fp);
fread(&xz,sizeof(double),1,fp);
fread(&yz,sizeof(double),1,fp);
}
fread(&size_one,sizeof(int),1,fp);
fread(&nchunk,sizeof(int),1,fp);
@ -82,10 +88,17 @@ main(int narg, char **arg)
fprintf(fptxt,"%d\n",ntimestep);
fprintf(fptxt,"ITEM: NUMBER OF ATOMS\n");
fprintf(fptxt,"%d\n",natoms);
fprintf(fptxt,"ITEM: BOX BOUNDS\n");
fprintf(fptxt,"%g %g\n",xlo,xhi);
fprintf(fptxt,"%g %g\n",ylo,yhi);
fprintf(fptxt,"%g %g\n",zlo,zhi);
if (!triclinic) {
fprintf(fptxt,"ITEM: BOX BOUNDS\n");
fprintf(fptxt,"%g %g\n",xlo,xhi);
fprintf(fptxt,"%g %g\n",ylo,yhi);
fprintf(fptxt,"%g %g\n",zlo,zhi);
} else {
fprintf(fptxt,"ITEM: BOX BOUNDS xy xz yz\n");
fprintf(fptxt,"%g %g %g\n",xlo,xhi,xy);
fprintf(fptxt,"%g %g %g\n",ylo,yhi,xz);
fprintf(fptxt,"%g %g %g\n",zlo,zhi,yz);
}
fprintf(fptxt,"ITEM: ATOMS\n");
// loop over processor chunks in file