LIGGGHTS® - User Forum

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

evaluating per-atom vectors

Submitted by n_ghods on Tue, 01/30/2018 - 09:23

Dear all,

I want to use the values of per-atom vectors at each time step in "compute property/atom" and check them in an if loop afterwards. I have written this part of the script for this regard:

compute ff all property/atom update_on_run_end yes fx fy fz
variable fmag atom sqrt(c_ff[1]^2+c_ff[2]^2+c_ff[3]^2)

How can I access the vector fmag at each time step in the if loop?

Thanks in advance,
Nazanin

LIGGGHTS stalls without error message

Submitted by JoG on Sat, 01/27/2018 - 13:14

Hello everybody,

I have the strange behavior that my simulation suddenly stalls and does not proceed. There is no error message. With one case, this behavior appears always around the same timestep. When I slightly modify the case, for example move the mesh a little bit or set particle heat sources a little different, the case either finishes or stalls at a different timestep. The problem is that I don't know how to tackle the problem.

Should "compute contact/atom" and "compute pair/gran/local" give the same number of contacts per particle/atom ?

Submitted by limone on Thu, 01/25/2018 - 18:08

Dear All,

I would like to compare the output of compute contact/atom for the contacts count of each particle/atom (to calculate the number of contacts for each atom in a group) and compute pair/gran/local for the number of pairwise interactions or particle-wall interactions in the system.

compute contact/atom
compute atomtrack all contact/atom
dump collide all custom 100 CSVs/dump*.doll.csv c_atomtrack

Formatting force chains so that their thickness depends on their magnitude

Submitted by AndresMM on Wed, 01/24/2018 - 09:15

This question comes often. I wanted to answer it with a picture but pictures in replies are not allowed.

In short, use the calculator filter and calculate the magnitude of the force with its components.
THEN use the tube filter. You can scale the chains using the newly-calculated value

Tutorial

Submitted by Frozeus on Tue, 01/23/2018 - 14:22

Hello everyone, I have made a small tutorial especially for Spanish speakers, any errors you find please let me know since I have been using liggghts for a short time.

Hola a todos, he realizado un pequeño tutorial en especial para las personas de habla hispana, cualquier error que encuentren porfavor haganmelo saber ya que llevo poco tiempo utilizando liggghts

Error: Pair gran allows only own compute of type pair/local

Submitted by Rachel on Sun, 01/21/2018 - 20:17

Hi,

I am facing a problem about outputing the contact force of different particle groups. In my code, I first wrote:

1#: compute fc all pair/gran/local force id pos
2#: compute fcSparticle sparticle pair/gran/local force

where "sparticle" is a certain group name. However, the ERROR message shows: pair gran allows only one compute of type pair/local. I cannot figure out why one cannot use two compute pair/local?

After the above test, I deleted the 2# command and just use the 1# command. When I want to output the results, I used:

layers of different particles

Tarun De's picture
Submitted by Tarun De on Fri, 01/19/2018 - 21:27

hello everyone,
I am a new user of LIGGGHTS. please suggest me some good tutorial where every topic is covered step by step, which is really good for beginners.
I will be really happy if anyone kindly tells me how to create layers of different particles in a hopper at once.
looking urgently for a reply.

best,
Tarun

cohesion particle wall

Submitted by Frozeus on Fri, 01/19/2018 - 21:07

Hello everyone, I would like to ask for your help in a script that I am working on

It consists of three particles of different sizes but of the same material and a different material geometry.

The problem is that I can not achieve cohesion or adhesion between the particles and the walls but if between the particles

atom_style sphere
atom_modify map array
boundary m m m
newton off

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