[lammps-users] Using fix ave/atom

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1

Dear Lammps users

I am trying to output averaged atom velocities using custom dump as:

fix f4 all ave/atom 1 10 10 vx vy vz
dump VelData CAtoms custom 1 Cveldata.out f_f4
but I got the following error:
ERROR: Dump custom fix ID does not compute scalar per atom

I am not able to figure out the problem.

Also is there another way of doing this operation.

Thanks,
Navdeep

2

Your fix ave/atom calculates 3 quantities per atom, i.e. a vector,
so you have to access them one at a time to get a scalar per atom.

e.g. this would work:

dump VelData CAtoms custom 1 Cveldata.out f_f4[1]

Steve