LIGGGHTS® - Developer Forum

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

LIGGGHTS w bonds 3.8.0 fix

Submitted by tjleps on Thu, 05/10/2018 - 21:26

modifying LIGGGHTS with bonds to work with 3.8.0 by changing the seed argument to type char

in fix_bond_create_gran.h:

69: delete "seed" from int declarations
add "const char *seed"
add "bool proc_shift = 1;"

in fix_bond_create_gran.cpp:

90:delete line
112: get rid of atoi so seed is still the string
129:change to "random = new RanMars(lmp,seed,proc_shift,1);"

It should now compile just fine and has the same functionality as the original for random bond creation.

Reducing Particle number during the simulation

40044600's picture
Submitted by 40044600 on Wed, 04/25/2018 - 16:29

Hello,

I'm wondering if there's any existing LIGGGHTS simulation that alters the number of particles throughout the simulation.
For my case, I want the particle number in a powder bed to reduce linearly with time.

Has anything like this been achieved to date. Or has anybody any thoughts about how it could be done?

Any feedback greatly appreciated.

Thanks.

access to the impact velocity

Submitted by gelinhan on Mon, 04/09/2018 - 15:51

Hi developers,

I am implementing a new normal contact model which needs the impact velocity (the velocity just before the collision) as an input parameter. A basic idea is to get the previous and current particle distance , and then extract the velocity just before there is an overlap. Is there any simple method to access the previous particle distance or any easier method to get the impact velocity?

Thank you.
Linhan

particle agglomeration

Submitted by kalei on Mon, 03/05/2018 - 14:40

Hallo,

a want to simulate an agglomeration process in a multi-particle system with two types of particles (A&B). When two particles get in contact with each other they should stick together with certain probabilities (etaAA, etaBB and etaAB) or get reflected. How can this be realized in LIGGGHTS?

Best
kalei

Restarting LIGGGHTS with bonds

Submitted by tjleps on Mon, 02/26/2018 - 22:12

Richti,

Have you been able to restart your bonds package with a different number of processors than were initially in the simulation? I've been trying to make this work for a little while now, as both the bond forming process, as well as the mesh/tet region style seem to have trouble with spanning processors, but I need to run simulations with ~100k-1M particles, so running on a single processor is not feasible.

Thanks,
Thomas Leps

Any suggestion on modifying heattransfer model

Submitted by Weijing on Tue, 01/30/2018 - 02:03

Hi everyone,

I am working on a project to introduce new heat transfer model into LIGGGHTS of which the main task is to implement another heat transfer equation. I find the following source codes should be responsible for the current model in LIGGGHTS.
fix_heat_gran.cpp
fix_heat_gran.h
fix_heat_gran_conduction.cpp
fix_heat_gran_conduction.h
fix_scalar_transport_equation.cpp
fix_scalar_transport_equation.h

LIGGGHTS particle insertion: Why is seed prime number?

Submitted by Walter_Leonie on Tue, 01/16/2018 - 11:32

Since the release of LIGGGHTS 3.5.0 seeds for particle insertion need to be prime numbers when I am informend correctly. However, when I consider the Park-Miller pseudorandom number generator as generator for "random" particle positions and velocities I do not get the point why the seeding should be larger than 10 000 and a prime number. As far as I know this random number generator creates a periodic list of numbers, where all numbers in a range from 1 to 2^31-1 do exist. Different seeds only shift the starting point, not the numbers itself.

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