I am using the compute cluster/atom with a distance of 10 times the radius of my atoms. However, I am getting an error because my cluster/atom cutoff is longer than my pairwise cutoff distance.
I have two questions:
1) How do I increase the pairwise cutoff distance?
2) Will I run into potential errors by increasing the pairwise cutoff distance to a much larger value?
mschramm | Wed, 02/19/2020 - 16:15
distance
Hello,
I believe you are after the neighbor command.
variable radius10 equal 10.0*${pRadius} # This may even need to be bigger... or smaller... but I think this is the dial you want to mess with
neighbor ${radius10} bin
This may not be what you need but it is what makes sense to me as this would allow LIGGGHTS to know what atoms are around any specific atom up to 10*r away from it...
NOTE: this can slow down your simulations as liggghts will have to check pairwise interactions with MANY more atoms.
Do you need to know this value during the simulation?