Dear lammps users,
1-Does anyone know how to interpret the meaning of asterisks in this example command used in lammps website?
pair_coeff 3* 1*2 1.0 1.0 2.5
2- What is the rule to determine the cutoff distance for lj/cut in pair_style command?
Any help would be appreciated.
Best regards,
Nima Pirouzmand
Dear lammps users,
1-Does anyone know how to interpret the meaning of asterisks in this
example command used in lammps website?pair_coeff 3* 1*2 1.0 1.0 2.5
why do you think people go through the pains of writing documentation?
most certainly not because it is their most favorite part of programming.
;-)
thus please, at least show some respect for not having to do the
programming yourself and have a look at the docs *first* before asking
questions. in this case check out:
http://lammps.sandia.gov/doc/pair_coeff.html
2- What is the rule to determine the cutoff distance for lj/cut in
pair_style command?
when you look up a
specific
force field
or individual parameters
, there is usually a recommendation for a cutoff.
in general the rules are: 1) the larger the more accurate and 2) the larger
the slower.
as computers get more powerful, the shift is toward the larger.
axel.
Dear Axel and Ray,
Thank you for responses.
I have read the documentation and I am not sure if I have understood it correctly.
So, 3* means that index I changes from 3 to N and 1*2 means that index J changes from 1 to 2? Correct?
Best regards,
Nima Pirouzmand
Yeah, that’s what “(inclusive)” means.
Thank you very much Aidan. I needed that confirmation.
Best regards,
Nima Pirouzmand.