LIGGGHTS® - User Forum

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

user defined vector variable

Submitted by mschramm on Fri, 11/01/2019 - 20:44

Hello,
I would like to have create a vector (myVec) and be able to call individual values in an input script

Something like the following.
variable myVec (I have No Idea) [1,6,2,8,4,7]

variable singleVec equal ${myVec[2]}

I see that we can input an environmental variable and use it in the liggghts script but I would like to keep it contained in an input script.

any idea?

mulitsphere break

Submitted by driley on Tue, 10/22/2019 - 04:38

I am attempting to use the multisphere break command to break apart the particles upon exceeding a vertical force. However, I receive an error stating that 'trigger_name' is an unknown command. Note I do not receive an error when the command is changed to 'trigger_fixName' and an appropriate fix is given. However, I intend to subject a multitude of multispheres to a compressive force, which continually increases. The code is shown below.

#Multisphere

atom_style sphere
atom_modify map array sort 0 0
boundary m m m
newton off

Avoid moding mesh using force fields

Submitted by antoniosereno on Wed, 10/16/2019 - 11:24

Hello everyone!
I'm trying to simulate a ball mill and I'm using at the moment a very simple geometry to obtain acceptable computation times since I'm learning now LIGGGHTS. While looking at the documentation page, I read about the possibility to assign variables instead of exact values to both the magnitude and the direction of hte gravity vector and I was thus wondering if there's a way to avoid heavy computation by using this trick instead of moving he mesh.

As a first attempt, I first inserted the particle into my geometry using a classical gravity vector, using:

Please suggest any way to compile the in. file without copy executable 'lmp_auto' into the same folder

Submitted by zen on Tue, 10/15/2019 - 16:47

Hi all,

I have got question about how to compile the 'in.filename' in parallel without copy executable 'lmp_auto' into the same folder. As suggested by the Liggghts documentation that the final step to make it compiled is

"cp lmp_auto ../examples/LIGGGHTS/Tutorials_public/chute_wear
cd ../examples/LIGGGHTS/Tutorials_public/chute_wear
mpirun -np 4 lmp_auto < in.chute_wear"

Large-Large overlapping in pair_colloid

Submitted by Lowered on Fri, 10/11/2019 - 17:43

Hello,

I'm facing a problem in pair_colloid.cpp
I designed a small testcase containing just 2 particles, radius 0.01µm and varying the initial distance between them. They are underlaying DLVO potential by hybrid overlay colloid and yukawa/colloid
For larger initial distances the simulation is working. At a distance of 2µm I get an unspecific error (seems like division by zero). For distances smaller than 2µm I get the error: "Overlapping large/large in pair colloid" (line 187 of pair_colloid.cpp).

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