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[lammps-users] Calculation of msd of atoms in spatial bins
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[lammps-users] Calculation of msd of atoms in spatial bins


From: "Sengupta, S." <S.Sengupta@...2493...>
Date: Mon, 13 Nov 2017 00:40:40 +0000

Dear LAMMPS users,

Is there any way of calculating msd of atoms in spatial bins ? The msd should be computed as an average over all atoms in a spatial bin.

The msd/chunk page mentions that it computes the msd of centre of mass of the chunks. Although, the command in the second example on the page (http://lammps.sandia.gov/doc/compute_msd_chunk.html ) is com/msd instead of msd/chunk. Is msd/chunk the same as com/msd ?

Thanks
Soumyadipta