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