[lammps-users] how to get the initial length of the simulition box when it changes

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1

Dear all

I want simulate the tension of nanowire .when i compute the virial
stress , i confuse the system volume will change
with the simulation box tension ，which volume ,the initial volume or
the changing volume , will apply to the virial stress?

in order to get the initial volume ,i want get to the initial length
of the box .I use the command "variable lo equal lz " before the lz
changes. so i think l0 is the initial length ,it will not change, but
the fact is not ,the lo also change with lz unpon the process of
tension ..

how to dump the length of box at some moment and use this mement
length in the fllowing part of the script?

thanks

2

The virial (or pressure) is an instantaneous quantity.
Hence you should always use the current box volume
to compute it (which LAMMPS does). If you want
to know the current box size, you can output it
with the thermo_style command: keywords vol, lx, ly,lz, etc

Steve

2010/6/20 H.Q. Lu <[email protected]...>: