binning and averaging a specified geometric region

Dear all

I need to obtain high resolution results only in a specified geometric region using LAMMPS. For such purpose, I want to use “fix ave/spatial command” (or something else) to divide only specified part of simulation domain into bins and do averaging only in there. I can use “region” command to specify the atoms in that region to contribute to bin averages. But I dont know how to divide a specified geometric region into bins without binning the rest of the simulation domain. Regular use of “fix ave/spatial command” divides all simulation box into bins and creates data files bigger than manageable limits.

Thank you


Murat Barisik

The fix ave/spatial command does have a region option to only bin
info for atoms in a region. However, there is no option to build
bins that do not cover the entire simulation box. That would have
to be added. If using all the bins creates too big of output files,
you can use the dump_modify region command to only dump atoms
in your region, then post-process whatever you want.