[lammps-users] display simulation box bound

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1

Hello,

I was trying to observe the change of box size via NPT integration but could not find a good way to display it (I would like to see the change written in a file).

There are some output options for NPT/NVT/NPH and omega[ndof] output displays almost the exact percentage change of box bound (comparing with box bound in dump file). However, there is still some difference between the two, like 0.02106 and 0.02128. Any help is greatly appreciated.

Regards,
Mengyu Lan

2

The thermo_style custom keyword has options for vol, lx, ly, lz which all
have to do with the box size. Or you can define a variable that calculates
something like percentage box size change and output that as v_foo.

Steve