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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2033 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2008-08-05 23:53:23 +00:00
parent ad521ad23f
commit c791517e1d
1 changed files with 5 additions and 1 deletions
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6
tools/restart2data.cpp
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@ -2522,10 +2522,14 @@ void Data::write(FILE *fp, FILE *fp2)
} }
} }
// shape and dipole to data file
// convert shape from radius to diameter
if (shape) { if (shape) {
fprintf(fp,"\nShapes\n\n"); fprintf(fp,"\nShapes\n\n");
for (int i = 1; i <= ntypes; i++) for (int i = 1; i <= ntypes; i++)
fprintf(fp,"%d %g %g %g\n",i,shape[3*i+0],shape[3*i+1],shape[3*i+2]); fprintf(fp,"%d %g %g %g\n",i,
2.0*shape[3*i+0],2.0*shape[3*i+1],2.0*shape[3*i+2]);
} }
if (dipole) { if (dipole) {