[lammps-users] compute msd and how to dump it

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1

Hi ,
my atom style is atomic. i want to compute the msd ,so i use the command:

compute 1 all msd

then i want to create an output from this computation.
i used both

dump 1 custom 100 c_1

dump 1 custom 100 c_1[1] c_[2] c_[3] c_[4]

and i used in the place of custom the local. But i always get an error depending on the custom or local style i use.What am i doing wrong?

Jim

2

The MSD is not a per-atom quantity, hence you cannot print
it with each atom in a dump file. That compute produces
what LAMMPS calls "global" quantities. Section 4.15 of the
manual goes into details about various ways to
output global quantities.

Steve

2010/4/20 Jim panathinaikos <[email protected]...>: