Integer box counts

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1

Hello,

I have a quick basic question that I can’t seem to find the answer to in the LAMMPS documentation. What is the purpose of including integer box counts in the .data file? Wouldn’t the read be identical to the case with no integer box counts (assuming periodic boundary conditions)?

Thank you,

-Keith

2

Hello,

I have a quick basic question that I can't seem to find the answer to in the
LAMMPS documentation. What is the purpose of including integer box counts in
the .data file?

to allow computing unwrapped coordinates, even if atoms have passed
through a box multiple times.
certain functionality in LAMMPS requires unwrapped coordinates to
function properly and consistently.

Wouldn't the read be identical to the case with no integer
box counts (assuming periodic boundary conditions)?

not identical, but close.

axel.