LIGGGHTS® - Developer Forum

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

Tilt factor in deform

Submitted by jagan1mohan on Mon, 06/14/2021 - 18:17

Hello Team, I'm using fix deform to shear a triclinic periodic cube which is symmetric about origin. Side length of cube in x (say) is -3.5*partDia to 3.5*partDia. Please see attached image t_0.png for initial state, note the coordinate system. I'm using

fix boxDeform all deform 1 xy erate 31 remap v

and everything works fine. In this, we see that the box flips when top corner travels a distance of half the box width as shown in attached image t_t.png in the x-direction.

1. Can we alter this travel distance to a user-defined value, say, quarter of a box length?

tag and mask

Tarun De's picture
Submitted by Tarun De on Sun, 04/18/2021 - 20:18

hello all,
I was going through the internal codes of Liggghts and found that tag and mask variables are set for each particle. can anybody kindly tell me what are those? As far I understood is the tag is the unique id for each particle and the mask is the processor number in which a particular particle's information is stored. kindly correct me if I am wrong.
thanks in advance.

Best,
Tarun

MODIFY FIX EFIELD SOURCE CODE

Submitted by pain08 on Fri, 03/05/2021 - 16:44

Hello everyone , i want to add the region command to the fix efield i did modify the .h and .cpp files in src folder but i still can not use an electrostatic field in a specified region with at an angle needed for my simulations i hope you can help me and thanks

this is the .h code

#ifdef FIX_CLASS

FixStyle(efield,FixEfield)

#else

#ifndef LMP_FIX_EFIELD_H
#define LMP_FIX_EFIELD_H

#include "fix.h"

namespace LAMMPS_NS {

voronoi computation called in pair style

Submitted by Jeff_DONG on Mon, 02/08/2021 - 07:36

Hello everyone,

I am calling the Voronoi compute in pair_gran_base.h to use for some pressure computation.

// setup voronoi info
Compute *voronoi_info;
char id_voro[] = "voroinfo";
int icompute = modify->find_compute(id_voro);
if (icompute < 0)
error->all(FLERR,"Could not find voro compute ID");
voronoi_info = modify->compute[icompute];

Then I just add "compute voroinfo all voronoi/atom" into the .in file

It is all good at this moment.

Triaxial Test

Submitted by hosseinhaeri on Sun, 02/07/2021 - 09:17

I would be really happy that any of you share a triaxial code with me as I am beginner in this field.
I have already wrote this code :

#####################################################################Triaxial Test######################################################################

#################################################################### Granular model ####################################################################

atom_style granular

atom_modify map array

boundary m m m

newton off

communicate single vel yes

how to release powder from a height

Submitted by nada on Thu, 01/07/2021 - 14:36

Hello,
I am trying to run a simulation where particles released freely from a height of 700 µm, due to gravitational and contact forces, these released powders freely deposited into the box and formed a powder bed. A roller is then applied to spread a 50 µm high layer of metal particles.
Can anyone share a code for that ? With which tutorials I can start or modify it or which command I should use ?
I am actually a total beginner. I would be glad if anyone can help through with the steps involved in the simulation.
thnx.

write_dump of gzipped file hangs simulation when running on several nodes

Submitted by iluvatar on Sun, 12/20/2020 - 04:24

Hello,
(Edit : Moved to liggghts users forum)
My simulations have been hanging when running them on several nodes. They work fine in a single node with several cpus. I was able to get a Minimal Working Example based on the packing example. Just by adding a single line
write_dump all custom out/dump_initial.gz id

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