Dear Dr. Axel Kohlmeyer,
Hello Dr. Kohlmeyer. Thank you for your e-mail. I am currently simulating the same polymer matrix. I have defined by force field via lj/cut and fene bonds. In my data file, I have the atom, velocity and the bond section.
I would like to ask for the definition of “max bonds/atom” which I see at the top of my output file when I run my same LAMMPS code. I see the line in my output file: 10 = max bonds/atom
Does this mean that there is a single atom that connects 10 bonds?
I looked at the previous mailing list, and you discussed that “max bonds/atom” means “bond force calculations per atom.” However, I was not sure what you mean by LAMMPS considers Newton’s Third Law.
Is LAMMPS recognizing that I do have an atom that connects 10 bonds? Thank you for your help.
Sincerely,
Masato Koizumi
Dear Dr. Axel Kohlmeyer,
Hello Dr. Kohlmeyer. Thank you for your e-mail. I am currently simulating
the same polymer matrix. I have defined by force field via lj/cut and fene
bonds. In my data file, I have the atom, velocity and the bond section.
I would like to ask for the definition of "max bonds/atom" which I see at
the top of my output file when I run my same LAMMPS code. I see the line in
my output file: 10 = max bonds/atom
Does this mean that there is a single atom that connects 10 bonds?
at least 10. could be more.
I looked at the previous mailing list, and you discussed that "max
bonds/atom" means "bond force calculations per atom." However, I was not
sure what you mean by LAMMPS considers Newton's Third Law.
are you telling us, that you don't know what newton's third law is? and
how it is exploited by MD codes for a 2x speedup?
Is LAMMPS recognizing that I do have an atom that connects 10 bonds? Thank
you for your help.
the explanation you are looking for is in the documentation for the
commands read_data and newton and particularly in my e-mail to the mailing
list you are referring to.
it is not my job to do your thinking for you. if you doubt what LAMMPS is
doing, set up tests and double check yourself. figuring out what you are
asking here is extremely straightforward to confirm (or disprove). it only
becomes a topic for the mailing list, if you can find (and prove) a
discrepancy between what is mentioned in the LAMMPS documentation and the
behavior it exhibits.
axel.