LIGGGHTS® - User Forum

LIGGGHTS® related topics can be discussed here: discussion about models, installation, feature requests and general discussion

updating fix/mesh/gran every timestep

Submitted by evansmuts on Tue, 05/24/2011 - 11:38

Hi

I am trying to create a time-varying version of the "conveyor" feature of fix/mesh/gran. The most obvious way to do this is to update fix_mesh_gran.cpp every timestep. I have found the "time_depend" variable in fix_move_tri.cpp and other files. It seems to be a flag determining whether the function is time-dependent or not. Adding this to fix_mesh_gran does not seem to work - my programme is supposed to output to screen each timestep, but it doesn't. What else am I missing to make this work?

use move/mesh/gran linear and rotate

Submitted by renekaiser on Mon, 05/23/2011 - 08:38

Hello,

may someone can give me a hint or help me with this.

I am asking for an alternative way to move one stl linear while another one is rotated,
because this does not seem to work:
fix movecad2 all move/mesh/gran linear 0.0 0.0 0.12 cad2 1
fix movecad1 all move/mesh/gran rotate 0.0 0.0 0.10 0.0 1.0 0.0 50. cad1 1

The szene is a rotating cylinder and a particle filled box is moved towards it.

Some ideas?

Thanks
rene

How to get the number of atom contacts on walls?

Submitted by Tao on Sat, 05/21/2011 - 22:33

Hi all,
I wonder if I can get the number of atom contacts on walls in LIGGGHTS? I'm using the fix mesh/gran/stressanalysis command to create boundary wall in simulation and I want to get the number of atom contacting with wall when wall moves. What's more, I also want to get the position of the geometrical centre of the wall after moving.

Can anyone help me with that?

Cheers,
Tao

Output forces on walls in 2d

Submitted by Silias on Fri, 05/20/2011 - 11:29

Hello everybody,

Because of high simulation effort I'd like to simulate particles in a container in 2d.
I already simulated a small model in 3d where the ouput of forces exerting on container walls works perfectly fine with the fix cad mesh/gran/stressanalysis.

- Now I have problems with outputing forces in 2d (fix mesh/gran/stressanalysis works just with meshes on 3d-CAD, right?)
- So, instead of importing a CAD in 3d, I use the fix wall/gran/history command to import walls in my 2d simulation. How is it possible to output forces on these walls?

Thanks very much in advance,

stress/atom

Submitted by SergeiD on Fri, 05/20/2011 - 08:18

Hi.
I have a problem with per-atom stress calculation.
I modify examples/packing script in order to calculate and dump per-atom stresses. So, I add the line:

64: compute st all stress/atom ke pair

and modify the dump command:

68: dump dmp all custom 350 post/dump.packing id type type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius c_st[1] c_st[2] c_st[3] c_st[4] c_st[5] c_st[6]

But I got a error:

ERROR: Per-atom virial was not tallied on needed timestep

What is this?
I attach modified script

======
Upd: The script

How to fix a particle in a simulation and how to output damping force?

Submitted by jerry_1988 on Wed, 05/18/2011 - 19:46

Hi,

I may modify the LIGGGHTS code for a new contact model and do some basic benchmark tests. May anybody tell me how to fix the position and rotation of a particle in a simulation (its force and interaction with other particles remained ), and how to output the damping force of a particle?

Regards
Jerry

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