maximum y-coordinate of particles

Submitted by billsouls on Thu, 02/26/2015 - 14:36

Hi all,

I want to find the maximum y-coordinate of the particles in my model during the simulation run. Can someone help me or give me any clues?

Many thanks,

Su

Forums:

JoshuaP | Thu, 02/26/2015 - 14:49

hey,

compute maxy all reduce max y
computes the maximum y coordinate of all particles. If you want the maximum displacement in y direction use:
compute displacements all displace/atom
compute maxdisplacey all reduce max c_displacements[2]

regards

billsouls | Sat, 02/28/2015 - 04:52

Dear JoshuaP,

Many thanks for your helpful response.

Best regards

billsouls | Sat, 02/28/2015 - 12:45

Dear JoshuaP,

Do you know how to use the maxy (a compute scalar) as a variable in the simulation?
When I want to use the value of maxy after 1000 run as one of the model parameters, it reminded that "computer used in variable between runs is not current".

variable pilemovedisp equal c_maxy

Many thanks,

Su

JoshuaP | Sat, 02/28/2015 - 16:17

I think that means that it is not calculated. I had also this issue once. Try

thermo_style custom step atoms ke vol dt etotal c_maxy
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
run ${time}

then you should be able to use it in variable or somewhere else.

regards