About the neighbor list overflow when using the Reaxff force field

These are "factors" so they are dimensionless.


    Hi, Ray, thanks for your reply. Yes, the values of "tdamp" and "pdamp" set in the input file are really too small as the "units" set with "real", and the values of these two parameters have been changed to 100.0 and 1000.0 respectively. And I always encountered the memory allocation failure, such as "ERROR: failed to allocate 3251870208 bytes for array list:three_bodiesapplication called MPI_Abort", as the size of the model increased from 10×10×10 (4000 atoms) to 20×20×20 (32000 atoms) even though the values of "safezone" and "mincap" increased to very large values. I want to know the unit of "safezone" and "mincap" and how to caluculate the values of these two paramters which need to be set for different sizes of models. Thank you in advance.