write_data command: wrapped or unwrapped atom coordinates

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1

You should be able to use the set command to zero the image flags, which is equivalent to wrapping.

Axel

2

Not clear what you mean by:

I was wondering if there is (or can be added to lammps that) write_data command writes the coordinates of the atoms in a wrapped form to the data file it produces.

The coords and image flags written out by write_data are inside the simulation

box with the image flags appropriately incremented, are they not?

Steve

3

Thanks Steve and Axel.

Yes, they are.
What I meant was, specifically, an option inside write_data command, by which we control the image flags to be zero (=wrapped coordinates).
It is not necessary, in that, as Axel said, the following command before writing the data file does the job.

set atom * image 0 0 0

I was not aware of this set image command. Thanks Axel.