LIGGGHTS® - Developer Forum

Topics related to developing with LIGGGHTS® can be discussed here: discussion about implementation details, C++, MPI and debugging tools

adding new force model | math libraries

Submitted by dusty_sikka on Wed, 07/27/2022 - 22:45

I am trying to add a spherical harmonics solver model (Keaveny and Maxey) for magnetic force calculation between paramagnetic particles in a uniform magnetic field. Currently, I have the solver written in python using many scipy libraries like linear system solver, combination formula, and associated Legendre functions. Is there a simple way to write these in c++ for LIGGGHTS, or can I include some other libraries like Eigen which may help me?

Differences in the stress tensor when using primitive or mesh walls

Submitted by ivanmg94 on Mon, 04/04/2022 - 10:03

Hi, I ran some simulations with dense granular material where the particles are stored in different containers ( cube, cylinder and annular cylinder) and the only external force on them is gravity. I model the particle-particle and the particle-wall contacts with the Hertz contact model with the history model enabled (without adding cohesion nor rolling friction). Every case has been run once using .stl meshes and replicated using primitive walls.

Access contact forces between atoms?

Submitted by Ming on Fri, 03/04/2022 - 01:32

Hi. I have used LIGGGHTS to prepare a cube of compressed particles. I need to extract the local contact information such as contact normal, tangential force direction, to construct a four-rank tangent modulus for the granular system.

I am aware of the compute pair/gran/local command but the issue is that I can not use the variable to store the local information that needs further processing. So now I am trying to write my own compute to achieve this goal.

Error while compiling

Tarun De's picture
Submitted by Tarun De on Tue, 12/21/2021 - 14:42

Hello all,
While compiling the src in LIGGGHTS-Public, I am getting the following error.

/usr/bin/ld: warning: libmpi.so.12, needed by /usr/lib/x86_64-linux-gnu//libvtkParallelMPI-6.2.so, not found (try using -rpath or -rpath-link)
size ../lmp_auto

Can anybody please help me with this issue?
Thanks in advance.

Regards,
Tarun

Accessing the particles_were_in_contact var from outside of surface_model

Submitted by Thorsager on Thu, 12/02/2021 - 14:47

Hi,
In essence I want to create a LIGGGHTS fix for superquadric collision diagnostics. And to do that I would like to access the stored enum that is set in surface_model_superquadric.h which details if particles were in contact last iteration.
This is to avoid doing the intersection check again, as that is both unnecessary to do twice and computationally expensive.

gravity vs addforce vs setforce

Submitted by Kashminder on Tue, 11/16/2021 - 22:45

The issue is that I have ran three different codes keeping everything same but only these 3 commands different in each code

fix gravi all gravity 9.81 vector 0. 0.0 -1.0.
fix p all addforce 0 0 -9.81
fix p all setforce 0 0 -9.81

So, the code with gravity force command acts like the particle comes down very slowly but in their 2 commands i.e. (add-force and setforce) the particles leaves the box quiet early, My question is that in all three cases the particles should act similarly as the force is same in three cases? Is the issue seems to be in fix?

Storing pairwise values

Submitted by joaopfc on Thu, 10/07/2021 - 18:09

Greetings. I've been working on a hybrid (contact and no contact) force model for LIGGGHTS, which has been done by other users here on the forum before. However, I wish to store a pairwise value that is calculated by surfacesClose so that I can later use it on surfacesIntersect when contact occurs. I've tried creating a new variable on the scdata struct and storing it there, but failed to realize that it is reinitialized every timestep hence this method wont work. Is there any other way I can implement this?

Pages

Subscribe to RSS - LIGGGHTS® - Developer Forum