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);
return -1;
}
+ /* link cell init */
+ link_cell_init(&moldyn,VERBOSE);
+
calculate_pair_correlation(&moldyn,dr,stat);
fd=open("pair_corr_func.txt",
free(stat);
+ moldyn_free_save_file(&moldyn);
+
return 0;
}