Clarification regarding "bond/create/gran" command

Submitted by SHUBHAM AGARWAL on Mon, 12/28/2020 - 09:09

Hello
I am using LIGGGHTS-flexible fiber version. I have a minor question regarding "bond/create/gran" to create granular bonds.
In one of the tutorial the syntax of the above command is as follows:
fix bondcr web bond/create/gran 1 1 1 ${bond_skin_web} 1 6 #every itype jtype cutoff btype newperts

I just wanted to understand the meaning of the last entry (newperts=6)

Thanks

Forums:

SHUBHAM AGARWAL | Wed, 12/30/2020 - 12:45

Hi
Just re-posting the same

mschramm | Mon, 01/04/2021 - 20:32

Hello,
I have not done much work inside fix_bond_create, but I understand that variable as being the max number of partners that you want that bond creation fix to perform.

So if you were running a pure molecular dynamics simulation and you wanted oxygen (atom type 1) to bond with both oxygen and hydrogen (atom type 2) you would do the following
fix bond_OO all bond/create/gran 1 1 1 ${bond_skin} 1 1
fix bond_OH all bond/create/gran 1 1 1 ${bond_skin} 1 2