Dumping the velocities of atom when they are at certain distance

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1

Hi All,

I am modeling the heat exchange between Ni surface and He atom. I am dropping the He atom from certain distance and I would like to collect the velocities of scattered He atom when it reaches to certain distance above Ni surface. Is there a way to do it in LAMMPS. instead dumping the velocities of He atom at each distance I just want to dump it at a distance I specify.

Thanks,
Emma

2

Hi All,

I am modeling the heat exchange between Ni surface and He atom. I am
dropping the He atom from certain distance and I would like to collect the
velocities of scattered He atom when it reaches to certain distance above Ni
surface. Is there a way to do it in LAMMPS. instead dumping the velocities
of He atom at each distance I just want to dump it at a distance I specify.

define a suitable region and then use dump_modify region on your dump
to output only data of atoms that are within that region.

axel.