LIGGGHTS® - User Forum

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

lmp.extract_compute

Submitted by strathclyde on Sun, 10/04/2015 - 15:39

Hi,

I am using 'lmp.extract_compute' in the python. This function could give the right value belong to compute class, but the return value is not ordered by ID. So I checked the library.cpp. I modify the cpp like the function 'data = lmp.gather_atoms(name,type,count)' which could return the value ordered by ID. But I failed. I will appreciate if anyone could help me.

The original cpp shows as follows:

void *lammps_extract_compute(void *ptr, char *id, int style, int type)
{
LAMMPS *lmp = (LAMMPS *) ptr;

Lattice Constant

anandmds's picture
Submitted by anandmds on Wed, 09/30/2015 - 06:35

Hey Guys, I'm using the "lattice" command prior to the "create_atoms" command, and I would really like to know what " lattice constant" in the "scale" keyword denotes. Is it the edge length of a unit cell or is it the diagonal length of the unit cell in 3D ? I want to create different packing structures using fcc, bcc , and so on by making the two particles ( 0.01m dia ) touching each other in every unit cell. Will my lattice constant be same for all styles viz. hcp, fcc, bcc, sc and diamond ?? please help.

regards,
Anand

move/mesh viblin command for a linear vibrator

Submitted by Misterblobby on Tue, 09/29/2015 - 01:13

Hi,

Can anyone help me to format the move/mesh viblin command to approximate a linear vibratory actuator?

These actuators can be approximated with a simple 1 DOF model Md2x/dt2 + cdx/dt + kx = Fsin(wt), where m is mass, c is damping and k is spring stiffness. >> Basically simple harmonic motion in one direction.

The axis, amplitude and period parameters are self-explanatory, but I'm not sure how to relate the phase parameters in the function back to the motion of the thing. I assume I need to use second order.

Thanks for your help.

Propagation of charged micro particles

Submitted by quincy.suehr on Mon, 09/28/2015 - 22:47

Hi all!

I have been on-off using LIGGGHTS for a few months now, and I have to say I love reading all the new functions and opportunities that come out all the time!

I have recently started a new project in LIGGGHTS that I am a little stuck on how to approach and/or not sure it can be entirely possible!

Overlap in liggghts

Submitted by ravirasoon1991 on Mon, 09/28/2015 - 01:21

Hi all,

Why is LIGGGHTS calculating everything using OVERLAP methodology while its not applicable in real problems?
As even soft-sphere model assumes that deformation is taken into account for force models.
Why no deformation and only overlap in LIGGGHTS?
Any specific reason for this?

I apologize if this question is stupid or already answered.

Thank you.

Error after Restart

Submitted by RobertG on Thu, 09/24/2015 - 18:09

Hello,
this problem bothers me the whole day.
Every time I restart my simulation, I got the same error message:

ERROR: Mesh (id cad2): Mesh elements have been lost / left the domain. Please use 'boundary m m m' or scale/translate/rotate the mesh or change its dynamics (../multi_node_mesh_parallel_I.h:637)

I used every Liggghts-Version since 3.1

I know it is a known problem.
But a while back, it worked well.

first: load restard-file
then: load stl-files
then: run 1
then: move/mesh

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