hello everyone,
Have anyone has an idea about computing the total newly created bond number of the certain type during simulation?
I imagine to use "compute property/local" "variable "to form a group and then "count()" the number.
However,the "compute property/local " command can only return a local type value which can not be used by "variable atom".
So,how can i realize it in lammps during simulation?
yours,sincerely
Kang Jingtian
What is a newly created bond, and how are you creating it?
If it’s via a fix, then the fix probably tallies the count (e.g. fix bond/create).
The compute reduce command can sum “local” values produced
by another compute.
Steve