How to save center coordinates of 3d bins in lammps

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1

Hello
Is there any method for saving center coordinates of 3d bins that computed with chunk/atom?

2

Maybe with the help of the following commands:
compute reduce min
compute reduce max
compute reduce ave

applied on the coordinates of the atoms that compose the group that was used to define the chunk?

Julien.

3

Hello
Is there any method for saving center coordinates of 3d bins that computed
with chunk/atom?

since you define the bins, you can compute them easily yourself from
the parameters you use.

axel.

4

You can take a look at compute property/chunk
link: http://lammps.sandia.gov/doc/compute_property_chunk.html

Michal

5

Thanks for your advice.
I solved this with ave/chunk. This fix gives the center coordinates of the bins.