Dear Lammps users,
I have a simple question about thermo_modify command.
I never use thermo_modify after the thermo_style command assuming that the default values would be applied by the code. Today I saw in the manual that if the thermo_style is used we should use thermo_modify after it.
Just can anyone tell me if it is OK to skip the command thermo_modify?
Well, I've been happily running LAMMPS without using the thermo_modify
command, with no catastrophic consequences.
I suppose if you're satisfied with what is printed to your screen and
your log.lammps file, then we can happily ignore thermo_modify
Looking at the statement in the manual, what it’s actually trying to say is the reverse: don’t use a thermo_modify command before the thermo_style command, because the thermo_style command will wipe out anything in a previous thermo_style or thermo_modify command.
You don’t need a thermo_modify command after a thermo_style command. It’s just telling you that you can’t put a thermo_modify command before a thermo_style command.
And the reason to not specify themo_modify before a thermo_style
command is simple. You can do it, but it modifies the parameters
of the existing style. When you use a thermo_style command,
it wipes out the old style and creates a new one. In the new
one, nothing is modified - it's all the defaults again.
Same with fix_modify, compute_modify, pair_modify, etc.
Thank you Andrew, Ahmed, and Steve for the response