LIGGGHTS® - Developer Forum

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

Bond atoms missing

Submitted by leaso on Mon, 06/10/2013 - 21:12

Hi all,

I am trying to add a modified bond model to the LIGGGHTS source code.

I have added 3 files which are similar to bond create, bond break and bond_quartic. I also added some more parameters to the atom class and modified the file atom_vec_sphere.cpp to include the new parameters in the atom class.

I keep getting this error when I run in parallel.

Primitive wall neighbor list building

Submitted by sbateman on Wed, 05/15/2013 - 23:01

I noticed that a large (hours-long) simulation ran much slower when I put a primitive wall/gran/hertz/history on the left side of the box (at xlo), than in an identical simulation but where the primitive wall is on the right side (at xhi). After a little bit of head scratching, I found this at line 124 of primitive_wall_definitions.h:

static bool resolveNeighlist(double *pos, double r, double treshold, double *param)
{
double dMax = r + treshold;
double dist = pos[d::x] - *param;

Periodic Boundary conditions in Cylindrical coordinates

Submitted by krishnarajkp on Tue, 03/05/2013 - 14:25

Hello all,

Thanks in advance for your time . Im trying to simulate Cylindrical Couette Granular Flows with inner cylinder rotating. But it takes lot of atoms (300000) to simulate my entire domain. hence if i can Simulate a section of the cylindrical couette (by using periodic boundary conditions in cylindrical coordinates) then i can reduce the number of atoms. Is there a possibility in LIGGGHTS or i should edit the code for my purpose. If so any suggestions or ideas are greatly appreciated and welcomed.

Thanks and regards,
krishnaraj

Reference on Domain Decomposition for History Tracking

Submitted by joesatch on Tue, 03/05/2013 - 10:06

Hi,

I'm looking for reference(s) on the way LIGGGHTS/LAMMPS is doing the domain decomposition to track the history variables such as contact information (whether a contact existed before or if it is a new contact). This is for updating, say the incremental frictional forces. Any pointers?

I think the history dependence makes DEM codes slightly different than MD codes.

Thanks,
Joe

Question about LIGGGHTS 2.3 Update notes.

Submitted by Lamers Jon on Sun, 03/03/2013 - 23:09

Dear all,

Thanks for your ongoing work with LIGGGHTS it's great to see it being updated all the time. I was wondering what did you mean by:

"Fixed some broken macros in the source code. Thanks to Richard Berger (JKU) for patching this."

in the patch notes. Which macros did you mean? How might they affect the results of previously performed simulations?

Thanks again, I look forward to your response.

Jon

Resources for help making a new fix?

Submitted by jtvanlew on Wed, 02/27/2013 - 02:12

Hi everyone,
I've been using LIGGGHTS pretty successfully for a while now and I'm now at the point where I need to make some new fixes to extend the code to my particular research topic. But without any experience at all with c++ I'm struggling mightily. This is a request for general help because on top of not knowing exactly what's going wrong -- I'm not even knowing the right questions to google to find my answers. I'm not looking for someone to help with each line of code, just maybe point me to more specific locations where I can find answers.

load balance

Submitted by ericparteli on Thu, 02/07/2013 - 09:59

Hi,
I would like to perform simulations with LIGGGHTS using load balance. If I understood correctly from previous forum discussions, it seems this feature is implemented but it is currently not part of the public release :(
However, it seems from previous forum discussions too that it is possible to use this feature "at our own risk". Where do I find instructions for compiling/using load balance with LIGGGHTS?
Thanks so much in advance!
Best
Eric

Read/Write Per-Particles properties from python with lammps_extract_fix

Submitted by jorisheyman on Mon, 12/17/2012 - 17:47

Hi,

I wrote a fix similar to "fix_cfd_compute_force" that add a constant force to all atoms.
It works well when a constant force is applied at the initialization (no coupling).

I want now to access this property/atom array from python to allow coupling. There is the function "lammps_extract_fix" in library.cpp that seems to do that.

Varying restitution coefficient

Submitted by jorisheyman on Wed, 12/05/2012 - 16:25

I added the possibility that the restitution coefficient varies with a local Stokes number of the particle (motion of particles in a viscous fluid) to pair_gran_hooke_history and fix_wall_gran_hooke_history.

The code and an example script is provided.

One has to enable a "viscousflag" (similar to dampflag for instance) into pair style or fix wall definition. The viscous flag is :

pair_style gran/hooke/history rolling_friction cdt viscous st

It will work only for hookean (history?) contacts. One has to provide the 3 parameters needed for the viscous damping :

LIGGGHTS vs commercial code benchmarks

Submitted by ahobbs on Thu, 11/01/2012 - 14:13

Some recent benchmark studies looking at LIGGGHTS, EDEM 2.4.3, and StarCCM+

The first test case is a short section of rotating drum with 5,000 particles run on 1,2,4 and 8 cores (Intel X5355, Redhat EL5) run from 0 to 10 seconds.

The next case is the same drum geometry extruded to 3m in length with 100,000 particles run on 8 cores

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