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Merge pull request #592 from akohlmey/reaxc-bugfix

Authored by sjplimp <sjplimp@sandia.gov> on Jul 21 2017, 00:26.

Description

Merge pull request #592 from akohlmey/reaxc-bugfix

Bugfix for USER-REAXC and reaxc in KOKKOS and USER-OMP

Event Timeline

GitHub <noreply@github.com> committed rLAMMPS5c13b087e4a1: Merge pull request #592 from akohlmey/reaxc-bugfix (authored by sjplimp <sjplimp@sandia.gov>).Jul 21 2017, 00:26

Merged Changes

CommitAuthorDetailsCommitted
ec23aef20b22Axel Kohlmeyer
fix reaxc division by zero bug also for USER-OMP variant 
Jul 21 2017
61b1487cbd93Axel Kohlmeyer
avoid division by zero in reaxff bond interaction computations in very rare… 
Jul 21 2017