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09bed0c0

Unverified Commit 09bed0c0 authored 7 years ago by Steve Plimpton Committed by GitHub 7 years ago

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Merge pull request #747 from stanmoore1/kk_reax_hist

Fix broken charge history in fix qeq/reax/kk

parents 1b51efd6 7d07baa8

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src/KOKKOS/atom_vec_hybrid_kokkos.cpp 5 additions, 0 deletions

src/KOKKOS/atom_vec_hybrid_kokkos.cpp
src/KOKKOS/fix_qeq_reax_kokkos.cpp 97 additions, 40 deletions

src/KOKKOS/fix_qeq_reax_kokkos.cpp
src/KOKKOS/fix_qeq_reax_kokkos.h 7 additions, 3 deletions

src/KOKKOS/fix_qeq_reax_kokkos.h
src/USER-REAXC/fix_qeq_reax.h 9 additions, 9 deletions

src/USER-REAXC/fix_qeq_reax.h

with 118 additions and 52 deletions

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