//moldyn.cutoff_square*=4;
dr=atof(argv[2]);
- slots=moldyn.cutoff/dr;
+ slots=2.0*moldyn.cutoff/dr;
printf("[pair corr calc]\n");
printf(" slots: %d\n",slots);
printf(" cutoff: %f\n",moldyn.cutoff);
free(stat);
+ moldyn_free_save_file(&moldyn);
+
return 0;
}