Dear lammps users
I want to simulate free and force vibration of a nano tube with lammps, would you
please guide me which fix is suitable ?
Is " wiggle " good for force vibration or not ?
which fix can simulate free vibration ?
and after all which command cn determine natural ferequency in output data ?
thanks alot
Dear lammps users
I want to simulate free and force vibration of a nano tube with lammps,
would you
please guide me which fix is suitable ?
this is the wrong question. decide how you want to set up and execute
your simulation (discuss with your adviser and more experienced
colleagues, if needed) and then look at
Is " wiggle " good for force vibration or not ?
there is no wiggle fix. a "wiggle" option is supported by multiple
fixes. whether this option does what you want, depends on how exactly
you want to enforce
which fix can simulate free vibration ?
none. "free" implies no manipulation.
and after all which command cn determine natural ferequency in output data ?
what is a "natural frequency"? are you talking about the vibrational
DOS? this can be done in multiple ways, usually with postprocessing
suitable data that is accumulated during simulation (eg. VACFs). there
are alternatives, too. thus, again, this is something that you should
primarily discuss with your adviser and/or whoever is teaching you MD
simulation basic techniques. this kind of knowledge is something that
requires a personal interaction and takes some time to build. a
mailing list is not an effective way to teach this.
your problems are not so much LAMMPS problems, but general MD issues.
once you know how to do these things in general, it will be
straightforward to build an input script to do this.
axel.