LIGGGHTS® - User Forum

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

fflag and tflag with fix particletemplate/multisphere

Submitted by estefan31 on Fri, 05/12/2017 - 07:32

How do you use the fflag and tflag options in fix particletemplate/multisphere? I'm getting an "unknown keyword" error when I use it as follows:

fix particle_template all particletemplate/multisphere 608519 atom_type 1 density constant 1 nspheres 1000 ntry 100000 spheres file template_file.multisphere scale 1.0 type 1 mass 10 inertia_tensor 100 0. 0. 100 0. 100 use_volume fflag off on on tflag on off off

Problem when add package molecule

Submitted by zhou_yu on Thu, 05/11/2017 - 15:26

hello everyone
I met a problem when trying to add package molecule, a similar thread was post last year but with no answers, as below:

i am very new to this software and also very new in the field of particle simulation. I am planing to do the Nanoindentation simulation through LIGGGHTS. Therefore i need to create a bond model, which is only possible through the MOLECULE package.

I have tried to install this package but it is showing some error. I have tried to do it in two steps, as mentioned in LIGGGHTS online document.

atom_style bond/gran

Submitted by zhou_yu on Thu, 05/11/2017 - 14:43

I noticed that atom_style bond/gran cant be recognized. The online documentation says "Note that bond/gran is an experimental code which is may not be available in your release of LIGGGHTS. An example for the sytnax is given below". I am wondering when it will be available to the public version user. Is this new atom_style for membrane boundary?

(Invalid keywords) PXX, PYY, PZZ, PXZ, PYZ, PXY IN THERMO_STYLE

Submitted by lumblab227 on Thu, 05/11/2017 - 04:01

I am quite confused why I cannot put in pxx pyy pzz etc. as the keywords to obtain the internal stress state of the periodic cell? I tried other keywords and finally find the the pxx pyy pzz are not included in the source code (am I right?). I am wondering why it is not included in the source code as it is basic and important key values.

Deleting Regions

Submitted by estefan31 on Wed, 05/10/2017 - 07:16

Is there no way to delete regions? The documentation says that I should be able to delete a region with "region region_name delete" but when I use such a command I get an error saying I used an illegal region command.

I also am aware the documentation says deleting a region is not usually necessary, but in my case I need to delete a region and create a new one by the same name within a loop.

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