LIGGGHTS® - User Forum

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

[belongs to bug #3]Co-ordination number problem

msbentley's picture
Submitted by msbentley on Tue, 08/23/2011 - 11:55

This probably relates to this problem, but I've posted a new topic to attach some images...

I have just tried to verify the coordination number for some simple packings (in this case simple cubic). I have computed and dumped the coordination number using computer coord/gran. I was expecting a coordination number of 6 everywhere apart from at the edges...

Feature request: add contact area to computer pair/gran/local etc.

msbentley's picture
Submitted by msbentley on Fri, 08/19/2011 - 16:19

I am about to start working both with cohesive materials, and also with heat flow - in both of these cases the contact area between particles is an important parameter. It would be great if this value could be exposed to compute pair/gran/local so that it could also be output via dump local...

I can probably figure out the changes if nobody else finds it useful, but I haven't yet started to dig into the code base ;-)

Thanks! Mark

speeding up a thermal-only sim (no particle motion)

msbentley's picture
Submitted by msbentley on Fri, 08/19/2011 - 15:56

Hi everyone,

I've been running a simulation that uses a hybrid granular/molecular style, and performing the integration with a "fix rigid molecule". Once these aggregates have settled, I then heat the lower boundary and want to study the heat flow through this material.

how to calculate the no. of neighbors

Submitted by prasantud on Wed, 08/17/2011 - 08:45

Hi everybody,
I am getting too much neighbors for my following file.
I am using the fcc lattice, so it will have have co-ordination no 12.
But the output is giving me co-ordination no as 655.
It creates 655 atoms

###### code starts here ###############
units si
boundary s s s
atom_style granular diameter 0.001 density 9000
atom_modify map array sort 0 0.0
newton off
communicate single vel yes

lattice fcc 0.002
region reg block 0 1.6e-2 0 1.0e-2 0 0.006 units box
create_box 1 reg

create_atoms 1 box units box

pair_style gran/hooke/history 1 0
pair_coeff * *

particles containing nan

raguelmoon's picture
Submitted by raguelmoon on Tue, 08/16/2011 - 16:18

Hi,
I have filled one cylinder with particles and then i want to insert one big particle on the bed of beads. I use lattice command to do this and apply create_atoms single command, but after that i found "nan" values in output screen. I modified the command many ways, but all in vain.. First I poured particles with pour/dev command and then with create_atoms for inserting single particle. Is there any solution?
Thanks,
Ram

Reconstruction of force-calculation (spring+damping)

Submitted by Silias on Mon, 08/15/2011 - 19:31

Hello everybody,

I'm about to reconstruct the spring and damping forces in a simple 1-particle-simulation (1 particle falling on the ground) and I have a simple understanding problem:

Using the formulas from the doc pair_gran, I am not able to obtain the dumped forces by myself, which are calculated by these (basic) commands (I appended the whole input-skript in a file and in another file I appended an Excel-Calculation of the forces of that moment, when the particle touches the ground for the first time).

GPU in liggghts

Submitted by jikra on Fri, 08/12/2011 - 22:16

hi,

Can i install GPU to ligggghts? How?
Have somebody any experiences with this?

I try to install GPU to ligggts:
- download and install nvidia cuda toolkit
- add directory to PATH and include cuda/lib

but when i start "make -f Makefile.nvidia" i get error: "gb_gpu_memory.cu:67: error: ‘__T11’ has not been declared"

many thanks
jikra

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