LIGGGHTS® 3.2 released

ckloss's picture
Submitted by ckloss on Wed, 04/29/2015 - 13:53

LIGGGHTS® 3.2: (released 29.04.2015)

Version 3.2 represents a major facelift for LIGGGHTS®. The focus of LIGGGHTS® is modelling of macroscopic phenomena (granular or sph), not atomic or molecular systems. Version 3.2 removes a lot of legacy features and documentation from LAMMPS which made LIGGGHTS® code or documentation misleading or ambiguous. Since this legacy code and documentation was not maintained or updated in the past, it did not make sense to keep it in the release

This makes the LIGGGHTS® 3.2 release concise and focused to its core capabilities: modelling of macroscopic phenomena (granular or sph). Most important changes in that respect are:
+ Most features for modelling atomic or molecular systems were removed from the code and doc
+ The manual was re-worked and updated
+ Now there is always the latest version of the documentation online under (note: this is autogenerated by our release systems and may take up to 24 hrs to update after a fresh release)
+ The header files were re-worked, and are now in a uniform state, also representing the copyrights correctly
+ Changed the default thermo output for "one" and "multi" styles to "step atoms ke cpu"
+ Removed thermo keywords "temp", "press", since the calculation was meaningless (or at least, if correctly interpreted, the calculation was incorrect) for granular systems
+ Removed fix pour/legacy. Changed also the movingMeshGran example to reflect that

There were also a couple changes related to models and features in LIGGGHTS®:
+ Extended compute pair/gran/local command so now can output particle-particle or particle-wall contact overlap
+ Fixed a small issue with contact history
+ Improved the handling of "dirty" wall meshes, i.e. meshes where the mesh elements are not located perfectly edge-to-edge. Thanks to Christian Richter (OVGU) for posting a test case!.
+ Fixed an issue with the binary option in conjunction to the multifile option of dump mesh/stl. Thanks to Christian Richter (OVGU Magdeburg) for the note!
+ Fixed a small copy/paste issue in the set command for option "vz". Thanks to user Sirop for the note.
+ Added two new features to fix ave/euler: "parallel" and "basevolume_region". The first one is used to determine if each process uses a local grid or all procs contribute to one global grid. The latter option is used to correct volume fraction and pressure calculations in near-wall regions
+ Added a "set_property" option to the fix insert/* commands that can initialize scalars stored in a fix property/atom upon insertion (e.g. Temperature). This now makes it possible to to pour streams of particles with different temperatures into the simulation
+ Added a "title none" option to fix print
+ Note for developers: We changed naming of functions inside the contact model framework to make things more clear and more general. collision() is now called surfacesIntersect(), noCollision() is now called surfacesClose().

BACKWARD COMPATIBILITY: Restart files of older versions will not be compatible

Daniel Queteschiner's picture

Daniel Queteschiner | Wed, 04/29/2015 - 16:11

The way this release is published on github makes it very difficult to follow actual code changes in LIGGGHTS. Putting changes that are not related to the code itself (like changes in the header) to a separate commit would make life much easier for other LIGGGHTS developers.

ckloss's picture

ckloss | Mon, 05/11/2015 - 12:46

Hi Daniel,

I know this is not optimal, but currently we have no workflow to release single commits. However, as things stand now, there will be no "major" re-work in the forseeable future after the 3.2 release

Best wishes