Hi all,
I am trying to compute RDF for longer distances. I used the following input script to update the cutoff but it always uses the potential’s cutoff distance. Can anybody suggest how to update the cutoff distance?
Hi all,
I am trying to compute RDF for longer distances. I used the following input script to update the cutoff but it always uses the potential’s cutoff distance. Can anybody suggest how to update the cutoff distance?
Hi all,
I am trying to compute RDF for longer distances. I used the following input
script to update the cutoff but it always uses the potential's cutoff
distance. Can anybody suggest how to update the cutoff distance?==========================
units metal
atom_style atomic
read_restart restart.10000.lmps
set type 2 type 1
pair_style tersoff/modc
pair_coeff * * ../../../Si.tersoff.mod Si Si
mass * 28.0855
comm_modify cutoff 8.0
this only modifies the communication cutoff, *not* the relevant
neighborlist cutoff.
since you are using rerun no force computation is requires, thus i
suggest you use:
pair_style zero 8.0
pair_coeff * *
axel.