Molecular Dynamics
LAMMPS Patch Release 20 November 2019
November 20, 2019
7 min read
Changes since the patch release 30 October 2019:
kim_param
to access KIM model parameters, (Yaser Afshar and the OpenKIM team at UMN), PR #1745gyration/shape/chunk
to compute gyration tensor eigenvalues and shape parameters for chunks, (Evangelos Voiatzis, Royal DSM),PR #1739centroid/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 #1782conda
(Ryan Elliot, UMN), PR #1768Backward compatibility notice:
Changes since the patch release 30 October 2019:
kim_param
to access KIM model parameters, (Yaser Afshar and the OpenKIM team at UMN), PR #1745gyration/shape/chunk
to compute gyration tensor eigenvalues and shape parameters for chunks, (Evangelos Voiatzis, Royal DSM),PR #1739centroid/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 #1782conda
(Ryan Elliot, UMN), PR #1768Backward compatibility notice: