Re[2]: (no subject)

Hisorry for my poor writing skill,

i mean are there going to be any eorrs in the calculations? (for example dipole calculation)

Hi
sorry for my poor writing skill,

i mean are there going to be any eorrs in the calculations? (for example dipole calculation)

i don't know this by heart. please look it up in the documentation.
that is why there is a documentation. no feature gets added to LAMMPS
without suitable documentation, which lists restrictions (and if there
is a restriction that is not listed, it should be reported as a
"bug").

non-consecutive atom IDs certainly do not affect the physics, so
interactions will be computed correctly, but certain features in
LAMMPS require consecutive atom IDs for a variety of (technical)
reasons. however, this can be remedied by the recently added
"reset_ids" command ( https://lammps.sandia.gov/doc/reset_ids.html )
which will collapse and renumber atom IDs and update the topology
information accordingly with it.

axel.

The few features in LAMMPS that require consecutive
atom IDs are specialized - you’re likely not using them.
One exception is the velocity create loop all command,
but there are alternative options for it.

Type this from the src dir to see the list:

% grep tag_consecutive *.cpp /.cpp

Steve