[lammps-users] thermo_modify / thermo_style

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1

Hi,
I noticed that if I have:

thermo_modify norm yes
thermo_style custom step temp pe etotal press

the second command resets values set by thermo_modify, and in this
example values are not normalized.
Is this intentional?

Marcin

2

Marcin,

I fell for the same "trap", so I can certainly empathize with you. But
it is intentional. When you issue the thermo_style command, you
create new computes that are initialized to their default values. I'd
recommend switching the order of your commands like this:

thermo_style custom step temp pe etotal press
thermo_modify norm yes

Paul

3

Thanks for the reply, Paul.
Yes, I know the sequence in that order works, my question was just out
of curiosity.
Marcin