LIGGGHTS® - Developer Forum

Hi all,

This is just a follow up from my previous forum question. I was wondering how to access the particle temperatures at a particular timestep. I know that it is part of the 'fix' class but not sure how or where it is stored and how it is dumped into my .vtk file.

All help is appreciated!!

Thanks,

Aishwarya

Hello,

Is there a way to access the coordinates of all particles in the simulation at a particular timestep in the code? Also, is this done by the neighbor list or the atomVec class? Are they all stored in some array that I can access easily within the source-code?

I tried looking into how dump_custom_vtk works to display the particle coordinates to the .vtk file but I did not find anything.

If this coordinate storage is done by the neighbor list, is there some calculation needed to get global coordinates instead of local coordinates?

Thanks!

Hello.
I would like to use the young's modulus that is imported by the user when describing a particle.
What would be the easiest way to access this value?
From looking at fix_check_timestep, I know I want to use
Y = static_cast(modify->find_fix_property("youngsModulus","property/global","peratomtype",max_type,0,style));
but I do not know what style is in this sense.

Hi,

I am trying to invoke the Voronoi Cell volume from the "compute_voronoi"(voro++ works well) to use as a parameter in the calculation of "easo_capillary.h".

I just found a similar example when doing the "compute_pressure" which also needs to invoke the value of "compute_temperature" for calculation.

My question is that I can only invoke it this way(compute_pressure and compute_temperature)? or does anyone have other suggestions on the invoking?

Very appreciate!

Best Regards,

Jeffrey

I have published several paper on radiative heat transfer in packed bed. Thus, I plan to open the code in the numerical simulation.
The numerical code includes radiation with short-range cutoff and the conduction ...
If anyone interested this topic, please discuss on https://github.com/wuhao1938/RDEM

Later, the related code will be in https://github.com/wuhao1938/RDEM

Can anyone please tell me the name of the contact search algorithm used in LIGGGHTS-Public?? and how contact search algo is implemented in LIGGGHTS??

Hi,
I need to extend the source code on LIGGGHTS so I decided to start with looking at adding a few fprintf statements for debugging but any fprintf statements I add to the source code doesn't seem to be showing up on the terminal screen or on the logfile.
This is how I am remaking LIGGGHTS after any modifications:
make clean-auto
make stubs
make auto

Is there something I am doing wrong or not doing?
Any help is appreciated!
Thanks

I am new on LIGGGHTS and want to configure the development environment on ubuntu. I want to know the development and debugging tool that already people used.

I need the Architecture diagram of some technical documentation.

Is the multicontact model supposed to work with MPI?
I have not had any luck getting the example program in.hydrogel_multicontact to run on Windows.

Due to this error:
Fatal error in MPI_Wait: Message truncated, error stack:
MPI_Wait(request=0x000000EDE92FF220, status0x000000EDE92FF228) failed
Message from rank 1 and tag 0 truncated; 209176 bytes received but buffer size is 117120