LAMMPS Patch Release 20 November 2019

LAMMPS Patch Release Overview

Changes since the patch release 30 October 2019:

• new command kim_param to access KIM model parameters, (Yaser Afshar and the OpenKIM team at UMN), PR #1745
• new compute style gyration/shape/chunk to compute gyration tensor eigenvalues and shape parameters for chunks, (Evangelos Voiatzis, Royal DSM),PR #1739
• new compute style centroid/stress/atom plus support for collecting the per-atom stress in a way that leads to more accurate heat flux computations (Donatas Surblys, Tohoku University), PR #1704, PR #1782
• document installation of pre-compiled LAMMPS binaries via conda (Ryan Elliot, UMN), PR #1768
• Convert documentation to use .rst files as a source instead of .txt. Retain .txt and tool to convert to .rst for the transition period. Remove legacy documentation tools and makefile targets. (Richard Berger, Temple U, and others), PR #1643, PR #1761, PR #1762, PR #1765, PR #1766, PR #1775
• add a min and max limit to the number of particles inserted by fix gcmc (Jared Wood, U of Sydney), PR #1764
• Various small fixes and code improvements (multiple authors), PR #1756, PR #1758, PR #1759, PR #1755, PR #1766, PR #1763, PR #1767, PR #1740, PR #1769

Backward compatibility notice:

• Documentation for the LAMMPS manual is now taken directly from .rst files and while the txt2rst converter tool is still available, .txt files will be incrementally removed as changes to the corresponding .rst files are applied that could not have done automatically via the txt2rst converter tool. Changes to the .rst files directly are encouraged and once those are done, the corresponding .txt (if it still exists) will have to be removed as those changes will not be backported.