Respected Sir/Madam
I am new to lammps user. I need to calculate frequency for primary reaction and elementary reaction in decomposition process. I dont have file for frequency calculations. so Which command want to give in my input script.
Thanking you
Respected Sir/Madam
I am new to lammps user. I need to calculate frequency for primary
reaction and elementary reaction in decomposition process.
what kind of frequency are you talking about here??? if you want a decent
answer, you have to write *much* better questions. people here cannot look
inside your head and read your mind. so you have to be very explicit and
ask questions assuming that people know next to nothing about your research.
I dont have file for frequency calculations. so Which command want to give
in my input script.
you are *still* not making sense here.
besides, all available commands are listed and described in the LAMMPS
manual. so that is where you should look for what is available. as
mentioned before, however, my best guess about what you might be asking
would mean, that there is no likely ready-to-use-just-type-this command
available, but rather you may need to write some program of your own, that
post-processes the intermediate data and computes the property you are
after from that data.
if this is not what you are looking for, i strongly suggest that you
discuss with your adviser. the kind of understanding that you seem to be
lacking is not something, that you can obtain from writing e-mails (and
e-mails of the kind "just tell me what command to use" are not likely to
receive much love here in the first place). instead, you need to talk with
your advisers/tutors to learn the basic prerequisites of computational
research before even worrying about running LAMMPS.
axel.