problem in dump_modfy pbc yes

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1

I am having problems in a common neighbor analysis in LAMMPS custom dump file using dump_modify pbc yes. When visualizing a anisotropic triclinic sample that is periodic in all conditions, the results show "other" structure in the outer surfaces of the sample, while just inside the sample it shows anticipated crystal structure (e.g fcc). The visualization is being done using OVITO. I sent the files and question to the OVITO org. According to the developers, they determined the problem was due to a bug in the "group_modify pbc yes" option, which was fixed in the latest release of LAMMPS. I have looked in the fixes and bug in the Source Forge update fixes, but I cannot find that listed as a specific fix. Is it a fixed bug? If so, is there a more complete list I can look at for my own understanding of the documentation? If it is a fixed bug, was it fixed in the 7Aug19 release, or something earlier? I have to request a LAMMPS rebuild by my computing center and want to make sure I ask for a rebuild that will fix the problem

Richard Gustafson

Texas A&M University

2

if there are comments posted online about this, you have to search on github, not sourceforge. larger issues are also listed in the release notes: https://github.com/lammps/lammps/releases
in this case, there is a bug report: https://github.com/lammps/lammps/issues/1378
and a merged pull request with a fix: https://github.com/lammps/lammps/pull/1374
so this bug has been fixed in the last two stable releases of LAMMPS and it is always a good idea to have the latest stable release of LAMMPS available.

axel.