LIGGGHTS® - User Forum

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

Coordination number per atom

Theo_Score's picture
Submitted by Theo_Score on Wed, 01/11/2017 - 15:02

Hi all,

I am trying to get the coordination number of every atom during a simulation and I set out coord/atom command as

#Output settings, include total thermal energy
fix ts all check/timestep/gran 1000 0.15 0.15
compute rke all erotate/sphere
compute nconts all coord/atom 0.015 mix yes
thermo_style custom step atoms ke c_rke c_nconts f_ts[1] f_ts[2] vol
thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes

How to get the instant number of particles?

Submitted by zhou_yu on Tue, 01/10/2017 - 12:36

I am doing a simulation of sandpile formation. I am wodering how can I get the instant number of particles in the sandpile since I use "lost ignore" to delete the paticles that gose to far from the pile.

Actually, I want to use this number in a judgement condition of a loop to control the max number I should pour on the sandpile.

set command and region command with move keyword

Submitted by Weijing on Tue, 01/10/2017 - 01:10

Hi everyone,

I am trying to learn more about the LIGGGHTS. In this scenarios, I tried to set a moving region with constant temperature, so I wrote

variable dy equal "0.08*(step-20000)/30000"
region pos_source block -0.05 0.05 -0.05 -0.03 0.0 0.05 move NULL v_dy NULL
fix test all print 1000 "${dy}"
set region pos_source property/atom Temp 500

But the result shows the set command only affect once and give the same result as

how to make a particle spin?

Submitted by chengqiccc on Sun, 01/08/2017 - 13:21

Hi all,

I'm new to LIGGGHTS. I want make a particle spin in the simulation.
At first, the atom_style in my simulation is granular. Under these circumstances, I set the angular velocity via "velocity......setAngular......" , and the terminal give a feedback:

"set Angular requires the atom property 'angmom' as defined by atom_style ellipsoid. (../velocity.cpp:426)"

Then I use atom_style "ellipsoid", but the terminal give a feedback this time:

"Fix wall/gran (id boxwalls_x1): requires atom attributes radius, omega, torque (../fix_wall_gran.cpp:107)"

radius expansion for multisphere clump

Submitted by zhou_yu on Sun, 01/08/2017 - 12:02

I was surprised to find that radius expansion can also work on multisphere clumps, but I noticed that the kinematic parameters (mass, mass center, moments of inertia) of a multisphere clump were determined and output on the moment when the clump was inserted. So I wonder whether the kinematic parameters of a clump will change dynamatically during the radius expansion process or just remain unchanged. Any hint is appreciated.

fix particledistribution/discrete not working correctly for ntemp > 2

Submitted by mattkesseler on Fri, 01/06/2017 - 14:23

Hi all, I am currently trying to run a LIGGGHTS script of granular particles sliding down a chute. I have tested the code with a monodisperse size distribution and now want to match the size distribution given for a specific sand that I'm using in my experiments. My understanding is that I should be able to use the following code to produce a distribution with 3 different particle sizes:

Property Changes in a Packed Bed

Submitted by jordantcox on Tue, 01/03/2017 - 21:43

I am newer to LIGGGHTS so I am still learning my way around assigning properties to particles. In my simulations the particles are spheres, and they are in a packed bed. Over time the particle's properties need to change based upon their position, in particular radius, Youngs Modulus and Poissons ratio. I am using the granular hertzian pair style without history.

All the particles are inserted in the first step,why??

Submitted by Zekun Wang on Sun, 01/01/2017 - 08:58

All the particles are inserted in the first step, but I want to make these particles flow from the inlets step by step. I don't know what the problem is , here is my input commands, pls help me , thx~

Inputs:
"
....
neighbor 0.004 bin
neigh_modify delay 0 one 20000 page 500000
....ere the input

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