LIGGGHTS® 3.8.0: (released by DCS Computing, 30 November 2017)

ckloss's picture
Submitted by ckloss on Thu, 11/30/2017 - 13:24


<strong>LIGGGHTS® 3.8.0: (released by DCS Computing, 30 November 2017)</strong>

<ul>
<li>  (**) Alexander Podlozhnyuk (DCS Computing) has implemented a major new feature in LIGGGHTS: <strong> Superquadric shape particles </strong> . There is a new public tutorial to showcase how to use it</li>
<li>  (**) Rahul Mohanty (P&G and University of Edinburgh) and Tomaz Zorec (University of Ljubljana) added an implementation of the Edinburgh contact model - currently there is no doc yet, this will hopefully be in the next release. </li>
<li>  (**) Rahul Mohanty (P&G and University of Edinburgh) also added an implementation of the Luding contact model - currently there is no doc yet, this will hopefully be in the next release. </li>
<li>  (**) Rahul Mohanty (P&G and University of Edinburgh) and Tomaz Zorec (University of Ljubljana) added an implementation of the Thornton/Ning contact model - currently there is no doc yet, this will hopefully be in the next release. </li>
<li>  Josef Kerbl (DCS) extended the feature (fflag & tflag) to deactivate forces or torques in x,y or z direction for multi-spheres </li>
<li>  Arno Mayrhofer and Christoph Kloss (DCS) fixed a potential segfault with mesh contact history. Thanks to Moritz Höfert (BASF) for providing a test case </li>
<li>  Josef Kerbl (DCS) fixed a bug in the argument parsing of compute/coord/atom. </li>
<li>  Josef Kerbl (DCS) updated fix/cfd/coupling/force to work with the new trackIO model from CFDEMcoupling. </li>
<li>  Arno Mayrhofer (DCS) and Josef Kerbl (DCS) fixed two issues in parallel reading of binary STL files. Thanks to user lesscharles for pointing out this issue.</li>
<li>  Arno Mayrhofer (DCS) fixed an input issue to viblin. Thanks to user Weijing for pointing out this issue.</li>
<li>  Arno Mayrhofer (DCS) fixed an input issue to vibrot. Thanks to user Weijing for pointing out this issue.</li>
<li>  Arno Mayrhofer (DCS) fixed an issue related to the bounds of Y in CGS. Thanks to user hrvig for pointing out this issue.</li>
<li>  Christoph Goniva (DCS) added 'additional mass' terms to multisphere integration. </li>
<li>  Andreas Aigner (DCS) fixed several compiler warnings </li>
<li>  Arno Mayrhofer & Josef Kerbl (DCS) changed max number of bins from MAX_INT to 8e6 </li>
<li>  Arno Mayrhofer added a auto installation for vtk 8.0.1 </li>
<li>  Arno Mayrhofer added the possibility to compile the libraries with make auto directly (without -f) </li>
<li>  Arno Mayrhofer updated Makefile.auto to add -rpath linking </li>
<li>  Arno Mayrhofer added clang compilation capability </li>
<li>  Josef Kerbl (DCS) made radius field in read_dump mandatory </li>
<li>  Arno Mayrhofer fixed an issue in the jpg compilation tests. Thanks to user JoG for reporting it. </li>
<li>  Arno Mayrhofer modified the numeric and inumeric input parsers to be able to handle Windows line endings </li>
<li>  Arno Mayrhofer added the capability for automatically creating output folders (all dumps and restart writing) </li>
<li>  Arno Mayrhofer rewrote the python documentation and renamed lammps to liggghts for python. Thanks to user AndresMM for reporting this issue. </li>
<li>  Enabled Superquadrics by default, NOOPT in USE_DEBUG renamed to FULL </li>
</ul>

<strong> The contibutions marked with (**) have been made as part of the T-MAPPP project. </strong> The T-MAPPP – Training in Multiscale Analysis of multi-Phase Particulate Processes (www.t-mappp.eu) is an EU funded Marie Curie Initial Training Network with funding from the European Union’s Seventh Framework Programme for research, technological development and demonstration under grant agreement no ITN607453. See www.t-mappp.eu for more information
 

deepakpawar.2310 | Sat, 12/02/2017 - 05:14

Can you coment on the following error

pawar@pawar:~/LIGGGHTS-PUBLIC-master/examples/LIGGGHTS/Tutorials_public/superquadric$ liggghts < in.particle_particle
LIGGGHTS (Version LIGGGHTS-PUBLIC 3.6.0, compiled 2017-07-01-00:05:51 by pawar, git commit 18a96adf8688e0d46423c7d812001a8d9e0a9af0)

atom_style superquadric
ERROR: Invalid atom style (../atom.cpp:441)
(../atom.cpp:441)

medvedeg | Sat, 12/02/2017 - 12:05

You are using LIGGGHTS-PUBLIC 3.6.0. Please use 3.8.0 instead
Please note that you have to define these variables via "-var" option
- blockiness1
- blockiness2
- angle

This can be done by running like this

liggghts -var blockiness1 4 -var blockiness2 4 -var angle 0 -in in.particle_particle

Alexander Podlozhnyuk

deepakpawar.2310 | Mon, 12/04/2017 - 08:28

Hello

can you have a look at the following error

pawar@deepakpawar:~/LIGGGHTS-PUBLIC-master/examples/LIGGGHTS/Tutorials_public/superquadric$ liggghts -var blockiness1 4 -var blockiness2 4 -var angle 0 -in in.p
article_particle
LIGGGHTS (Version LIGGGHTS-PUBLIC 3.8.0, compiled 2017-12-04-12:34:52 by root, git commit unknown)

atom_style superquadric
ERROR: Invalid atom style (/home/pawar/LIGGGHTS-PUBLIC-master/src/atom.cpp:459)

Thanks

medvedeg | Mon, 12/04/2017 - 16:49

Hi,
how did you compile the code? I suggest to do it with "make auto -j 4". Please check if "USE_SUPERQUADRICS" is set to "ON" there.

Alexander Podlozhnyuk

deepakpawar.2310 | Thu, 12/07/2017 - 08:14

Hi

I made following changes in in.partilcle_particle to generate the ellipse

create_atoms 1 single 0.0 0.0 0.01
set atom 1 type 2 shape 0.002 0.004 0.008 blockiness ${blockiness1} ${blockiness2} density 2500 vz 0.9 quat 1 0 0 ${angle} #omegaz 10

and {blockiness1} ${blockiness2 are 2 and 2.

But on visualizing the dump files in OVITO its shows the sphere only. What is the possible error ?

Daniel Queteschiner's picture

Daniel Queteschiner | Thu, 12/07/2017 - 10:00

According to the paper linked above ( https://link.springer.com/article/10.1007/s40571-016-0131-6 ).
"Parameters n1=n2=2 give an ellipsoid, and a cylinder is obtained if n1=2 and n2≫2 and a box-like particle if n1≫2 and n2≫2"
the semi-axes a, b, c are set via the shape parameter; n1, n2 correspond to blockiness1, blockiness2

deepakpawar.2310 | Thu, 12/07/2017 - 10:56

Hii THANKS

I followed the same paper..what visualization tool is better OVITO or ParaView....i using OVITO..can t see any non-spherical shape although providing the necessary input WHICH MENTIONED IN THE PAPER

Daniel Queteschiner's picture

Daniel Queteschiner | Thu, 12/07/2017 - 09:53

The manual refers to a "SUPERQUADRIC guide" for more information on superquadrics (at several places) but it seems that the file it is supposed to link to is not present. Is this guide not available in the public version or is it just missing?

aaigner's picture

aaigner | Thu, 12/07/2017 - 11:08

Hi Daniel!
Sorry, the corresponding file didn't find the way through the release routine.

I pushed a hotfix. The documentation can found here