LIGGGHTS® - Developer Forum

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

Hertz force calculation

Submitted by Rahul Kumar on Tue, 12/01/2020 - 09:00

Hi

I have a doubt in implementation of Hertz model in LIGGGHTS. The following code is implemented in LIGGGHTS to calculate Normal hertz stiffness.
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double kn=4./3.*Yeff[itype][jtype]*sqrtval;
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dumping only cohesion force contribution

Submitted by jagan1mohan on Thu, 11/19/2020 - 09:17

Hello team, greetings. I have added the van der Waals forces on the top of normal_model_hooke. I switch this force contribution via a flag "vdw on" in the input script in the pair style. Everything is working fine and I could match results from an article. In the dump, when we use fx fy fz, the output is the sum total of all the forces acting on each of the particles. How can we create a new set of variables say vdwx vdwy vdwz which has only vdw contribution for post-processing? Thank you, Jagan Mohan.

Forces from surfacesClose dont add up

Submitted by jagan1mohan on Thu, 11/12/2020 - 19:10

Hello Team, greetings. I'm trying to account for the van der waals forces in my simulation. In order to that

1. I first started with copy-pasting and editing the existing cohesion model and very soon found that ".is_wall" in surfacesClose( ) is always false. That means, it does not detect the presence of walls. There is also a post on this and its implementation is in progress.

LIGGGTS - LAMMPS compatibility

Submitted by oarcelus on Tue, 09/08/2020 - 12:11

Dear Forum,

Looking at the architectural similarity of both LAMMPS and LIGGGTHS codes, I was wondering at their compatibility when it comes to modifying or extending one software with already existing code of the other software. In particular, I am interested in taking a particular case for the superquadric particles (ellipsoids). which are already implemented in LAMMPS, and using the LIGGGTHS modules for contact detection to implement a hooke or GH pair potential in LAMMPS. That way it would be possible to perform CGMD calculations by using an hybrid pair gayrberne/hertz.

Seg Fault Error During Particle Template Insertion (Dynamic Fiber Insertion)

Submitted by mschramm on Mon, 08/17/2020 - 02:34

Hello,
I am adding code to the insert function of the particleToInsert class.
It is working for sparse insertions but hits a segmentation fault error once it starts to get dense.

I have started to block in segments of code and have narrowed down where it breaks. The issue is that it breaks between two fprintf statements...

I have a few questions that will hopefully narrow down where the issue is.
As spheres are added, via the create_atoms function, do all arrays also grow?
During particle insertion, do other function run as a different thread?

Hertz Contact model

Submitted by Gulniamat on Wed, 08/12/2020 - 19:27

Hello every one...
i used Hertz contact model in my simulations in following form:
F=(Kn δn- γn Vn ) + (Kt δt- γt Vt )
The first term represents the normal force between two particles while the second term represents the tangential force. Here Vn and Vt are normal and tangential components of the relative velocity. The coefficients K_n, K_t, γ_n, and γ_t are calculated from the material properties.

fix continuum/weighted

Submitted by hosseinhaeri on Tue, 08/04/2020 - 04:31

Hello guys

I wrote this code :

atom_style granular

#atom_modify map array

boundary p p p

newton off

communicate single vel yes

units si

region reg block -0.005 0.005 -0.005 0.005 0.0 0.03 units box

create_box 2 reg

neighbor 0.002 bin

neigh_modify delay 0 contact_distance_factor 1.5

hard_particles yes

Modification of source code

Submitted by benjasa on Sat, 06/20/2020 - 16:47

Hi,

I've been trying to modify the source code and add new class into src dir. I added both .cpp and .h and make clean-all and make auto under src dir. I also checked that lmp_auto file is generated. But my modified file and added files were not compiled and i could not call them in my script. Did i miss something?

Thanks

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